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Chemical ID: 7038752

CC(C)(C)C(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)C(C)(C)C

Chemical ID:

7038752

Name [?]:

N-[(4-benzyloxyphenyl)-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethyl-propanamide

SMILES [?]:

CC(C)(C)C(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)C(C)(C)C

InChi [?]:

InChI=1/C24H32N2O3/c1-23(2,3)21(27)25-20(26-22(28)24(4,5)6)18-12-14-19(15-13-18)29-16-17-10-8-7-9-11-17/h7-15,20H,16H2,1-6H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,3,4,27,28,29,20,19,21,18,22,10,14,11,13,16,17,9,12,8,5,24,2,26,7,23,6,25,15/E:(1,2,3,4,5,6)(8,9)(10,11)(12,13)(14,15)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₃
All Atoms:	61
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4985
Area:	652.792
Solvation:	-4.82132
Coulombic:	-51.819

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	396.523
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.28
LogP (Chemaxon):	5.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value