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Chemical ID: 6006430
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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