Chemical ID: 5907986

CCCC(=O)N(CCC)CC(=O)NCC(=O)Nc1ccccc1
Chemical ID:
5907986
Name [?]:
N-(phenylcarbamoylmethylcarbamoylmethyl)-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)NCC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C17H25N3O3/c1-3-8-17(23)20(11-4-2)13-16(22)18-12-15(21)19-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,18,22)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,21,20,22,3,19,23,7,14,10,18,15,11,4,13,17,6,16,12,5/E:(6,7)(9,10)/rA:23nCCCCONCCCCCONCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2079
Area:575.997
Solvation:-4.19203
Coulombic:-57.7237
Bond Count [?]
All:23
Single:17
Double:6
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:319.399
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.37
LogP (Chemaxon):1.3

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Experimental Annotations

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Descriptor Annotations

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