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Chemical ID: 5913926

CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)c2cccc(c2)C

Chemical ID:

5913926

Name [?]:

N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3-methyl-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)c2cccc(c2)C

InChi [?]:

InChI=1/C22H27N3O4/c1-4-12-25(22(28)17-7-5-6-16(2)13-17)15-21(27)23-14-20(26)24-18-8-10-19(29-3)11-9-18/h5-11,13H,4,12,14-15H2,1-3H3,(H,23,27)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,29,20,2,25,26,24,14,18,15,17,3,28,9,5,27,23,13,16,10,6,21,8,12,4,11,7,22,19/E:(8,9)(10,11)/rA:29nCCCNCCONCCONCCCCCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇N₃O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9733
Area:	653.69
Solvation:	-5.36892
Coulombic:	-66.5668

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	397.468
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.61
LogP (Chemaxon):	2.22

Name Annotations

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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