3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide

C18H27N3O2 — CID 47034013

IUPAC3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)NC2CCCCC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-11-19-17(22)14-8-6-9-15(12-14)20-18(23)21-16-10-5-4-7-13(16)2/h6,8-9,12-13,16H,3-5,7,10-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyMFBZLZGHCNQXKU-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.53
Rot. Bonds5

About 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide

3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide (PubChem CID 47034013) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
PubChem CID47034013
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)NC2CCCCC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-11-19-17(22)14-8-6-9-15(12-14)20-18(23)21-16-10-5-4-7-13(16)2/h6,8-9,12-13,16H,3-5,7,10-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyMFBZLZGHCNQXKU-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 95291754
N,N-diethyl-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8629370
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
CID 60586572
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide (CID 47034013) is 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)NC2CCCCC2C)c1.
What is the InChIKey of 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is MFBZLZGHCNQXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-11-19-17(22)14-8-6-9-15(12-14)20-18(23)21-16-10-5-4-7-13(16)2/h6,8-9,12-13,16H,3-5,7,10-11H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide?
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 47034013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).