Chemical ID: 6006852

CCCC(=O)N(CC1CC1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
Chemical ID:
6006852
Name [?]:
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]butanamide
SMILES [?]:
CCCC(=O)N(CC1CC1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H27N3O4/c1-3-4-19(25)22(12-14-5-6-14)13-18(24)20-11-17(23)21-15-7-9-16(26-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,9,10,20,24,21,23,15,7,11,8,19,22,16,12,4,14,18,6,17,13,5,25/E:(5,6)(7,8)(9,10)/rA:26nCCCCONCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2921
Area:628.356
Solvation:-5.41677
Coulombic:-63.8929
Bond Count [?]
All:27
Single:21
Double:6
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:361.435
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.24
LogP (Chemaxon):0.95

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Descriptor Annotations

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