Chemical ID: 5293338

CCC(C)C(C(=O)OC)NC(=O)Nc1cccc(c1)C(=O)C
Chemical ID:
5293338
Name [?]:
methyl 2-[(3-acetylphenyl)carbamoylamino]-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)Nc1cccc(c1)C(=O)C
InChi [?]:
InChI=1/C16H22N2O4/c1-5-10(2)14(15(20)22-4)18-16(21)17-13-8-6-7-12(9-13)11(3)19/h6-10,14H,5H2,1-4H3,(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,4,22,9,2,16,17,15,19,3,20,18,14,5,6,11,13,10,21,7,12,8/rA:22cCCCCCCOOCNCONCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.48941
Area:527.354
Solvation:-3.69443
Coulombic:-61.6835
Bond Count [?]
All:22
Single:16
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:306.357
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.21
LogP (Chemaxon):2.03

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Descriptor Annotations

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