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Chemical ID: 6006852
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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