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

C20H21N2O3- — CID 71302923

IUPACN-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(N(C(=O)[O-])C3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)22(20(24)25)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,24,25)/p-1
InChIKeyDVLIKHFJTHXJGT-UHFFFAOYSA-M
MW337.40 g/mol
LogP2.93
Rot. Bonds4

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

N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate (PubChem CID 71302923) has the molecular formula C20H21N2O3- and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate.

Molecular Properties

Compound NameN-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate
PubChem CID71302923
Molecular FormulaC20H21N2O3-
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(N(C(=O)[O-])C3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)22(20(24)25)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,24,25)/p-1
InChIKeyDVLIKHFJTHXJGT-UHFFFAOYSA-M
XLogP2.93
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
3-[3-(cyclohexylamino)oxyphenyl]benzamide
CID 90125063
3-cyclopentyloxybenzamide
CID 71932153
N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
CID 175598957
4-(3-carbamoylphenyl)benzoate
CID 86307207
5-(3-carbamoylphenyl)-N-cyclohexyl-N-methylbenzotriazole-1-carboxamide
CID 66682673
N-[3-[cyclohexyl(cyclopentanecarbonyl)amino]phenyl]cyclopentanecarboxamide
CID 141094117
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
1-(4-chlorophenyl)-1-cyclohexylurea
CID 68800466
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate?
The IUPAC name of N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate (CID 71302923) is N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate.
What is the SMILES notation for N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate?
The canonical SMILES for N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cccc(N(C(=O)[O-])C3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate?
The InChIKey is DVLIKHFJTHXJGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)22(20(24)25)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,24,25)/p-1.
What are the key properties of N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate?
N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate has a molecular weight of 337.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate is sourced from PubChem (CID 71302923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).