[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate

C20H22N2O3 — CID 1383884

IUPAC[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChIKeyROFVXGGUISEHAM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds4

About [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 1383884) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID1383884
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChIKeyROFVXGGUISEHAM-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

Urb937
CID 53394762
[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
CID 71506769
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CID 3071639
Cyclohexylcarbamic acid biphenyl-3-yl ester
CID 10108554
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CID 24860363
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
CID 71511803
3-[4-(3,5-Dimethylphenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10028427
[3-(3-carbamoylphenyl)-5-hydroxy-phenyl]N-cyclohexylcarbamate
CID 71506583
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
N1,N3-bis(3-methoxybenzyl)isophthalamide
CID 10111838
2-(3-Carbamoylphenyl)-4-(cyclohexylcarbamoyloxy)benzoic acid
CID 71506773
FAAH Inhibitor, 2e
CID 58801135

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate (CID 1383884) is [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is ROFVXGGUISEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24).
What are the key properties of [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)phenyl] 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 [3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 1383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).