(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate

C20H22N2O3 — CID 58801135

IUPAC(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate
SMILESNC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-19(23)17-12-11-16(13-18(17)14-7-3-1-4-8-14)25-20(24)22-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,23)(H,22,24)
InChIKeyNNRPFNHFWJYWGE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds4

About (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate

(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate (PubChem CID 58801135) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate
PubChem CID58801135
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate
SMILESNC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-19(23)17-12-11-16(13-18(17)14-7-3-1-4-8-14)25-20(24)22-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,23)(H,22,24)
InChIKeyNNRPFNHFWJYWGE-UHFFFAOYSA-N
XLogP3.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester
CID 1383884
Urb937
CID 53394762
[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
CID 71506769
(R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethoxy)benzamide
CID 71768304
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CID 24860363
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
CID 71511803
4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylbenzamide
CID 68504537
[3-(3-carbamoylphenyl)-5-hydroxy-phenyl]N-cyclohexylcarbamate
CID 71506583
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137363359
3-({[3-(4-benzoylphenoxy)propyl](methyl)amino}methyl)phenyl N-methylcarbamate
CID 11133811
2-(3-Carbamoylphenyl)-4-(cyclohexylcarbamoyloxy)benzoic acid
CID 71506773

Frequently Asked Questions

What is the IUPAC name of (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate (CID 58801135) is (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate is NC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate?
The InChIKey is NNRPFNHFWJYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)17-12-11-16(13-18(17)14-7-3-1-4-8-14)25-20(24)22-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,23)(H,22,24).
What are the key properties of (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate?
(4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate has a molecular weight of 338.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyl-3-phenylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 58801135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).