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Chemical ID: 6002115

Cc1cc(no1)NC(=O)CN(CCC(C)C)C(=O)c2ccc(cc2)c3ccccc3

Chemical ID:

6002115

Name [?]:

N-isopentyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-phenyl-benzamide

SMILES [?]:

Cc1cc(no1)NC(=O)CN(CCC(C)C)C(=O)c2ccc(cc2)c3ccccc3

InChi [?]:

InChI=1/C24H27N3O3/c1-17(2)13-14-27(16-23(28)25-22-15-18(3)30-26-22)24(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,15,17H,13-14,16H2,1-3H3,(H,25,26,28)

InChi Info:

AuxInfo=1/1/N:15,16,1,28,27,29,26,30,21,23,20,24,13,12,3,10,14,2,25,22,19,4,8,17,7,5,11,9,18,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCNONCOCNCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3249
Area:	658.84
Solvation:	-4.14608
Coulombic:	-44.2993

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	405.49
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.39
LogP (Chemaxon):	4.71

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