Chemical ID: 6006430

CC(C)(C)CC(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C2CC2
Chemical ID:
6006430
Name [?]:
N-cyclopropyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C2CC2
InChi [?]:
InChI=1/C20H29N3O4/c1-20(2,3)11-19(26)23(15-7-8-15)13-18(25)21-12-17(24)22-14-5-9-16(27-4)10-6-14/h5-6,9-10,15H,7-8,11-13H2,1-4H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,18,22,26,27,19,21,5,13,9,17,25,20,14,10,6,2,12,16,8,15,11,7,23/E:(1,2,3)(5,6)(7,8)(9,10)/rA:27nCCCCCCONCCONCCONCCCCCCOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s8;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3544
Area:622.106
Solvation:-5.19822
Coulombic:-64.0649
Bond Count [?]
All:28
Single:22
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:375.462
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.16
LogP (Chemaxon):1.4

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Descriptor Annotations

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