[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate

C21H24N2O4 — CID 71506774

IUPAC[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2CO)c1
InChIInChI=1S/C21H24N2O4/c22-20(25)15-6-4-5-14(11-15)19-12-18(10-9-16(19)13-24)27-21(26)23-17-7-2-1-3-8-17/h4-6,9-12,17,24H,1-3,7-8,13H2,(H2,22,25)(H,23,26)
InChIKeyUHSYILGCPURHCK-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.37
Rot. Bonds5

About [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate (PubChem CID 71506774) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate
PubChem CID71506774
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2CO)c1
InChIInChI=1S/C21H24N2O4/c22-20(25)15-6-4-5-14(11-15)19-12-18(10-9-16(19)13-24)27-21(26)23-17-7-2-1-3-8-17/h4-6,9-12,17,24H,1-3,7-8,13H2,(H2,22,25)(H,23,26)
InChIKeyUHSYILGCPURHCK-UHFFFAOYSA-N
XLogP3.37
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate (CID 71506774) is [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2CO)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is UHSYILGCPURHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-20(25)15-6-4-5-14(11-15)19-12-18(10-9-16(19)13-24)27-21(26)23-17-7-2-1-3-8-17/h4-6,9-12,17,24H,1-3,7-8,13H2,(H2,22,25)(H,23,26).
What are the key properties of [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 368.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-4-(hydroxymethyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71506774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).