[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate

C21H24N2O4 — CID 71506769

IUPAC[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
SMILESCOc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyADPPJKSMKLENRP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.88
Rot. Bonds5

About [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate (PubChem CID 71506769) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
PubChem CID71506769
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate
SMILESCOc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
InChIKeyADPPJKSMKLENRP-UHFFFAOYSA-N
XLogP3.88
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester
CID 1383884
Urb937
CID 53394762
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate
CID 24860363
[3-(3-carbamoylphenyl)-4-methylphenyl] N-cyclohexylcarbamate
CID 71511803
[3-(3-carbamoylphenyl)-5-hydroxy-phenyl]N-cyclohexylcarbamate
CID 71506583
N1,N3-bis(3-methoxybenzyl)isophthalamide
CID 10111838
2-(3-Carbamoylphenyl)-4-(cyclohexylcarbamoyloxy)benzoic acid
CID 71506773
FAAH Inhibitor, 2e
CID 58801135
3''-Carbamoylbiphenyl-3-yl naphthalen-2-ylmethylcarbamate
CID 24881811
[3-(3-carbamoylphenyl)phenyl] N-(4-phenylbutyl)carbamate
CID 56677182
[3-(3-acetylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
CID 71762981
Propyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
CID 10113124

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate (CID 71506769) is [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate is COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(C(N)=O)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate?
The InChIKey is ADPPJKSMKLENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate has a molecular weight of 368.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-4-methoxyphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71506769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).