N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide

C17H26N2O — CID 121420012

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(C)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-7-6-8-15(13-14)17(20)18-11-12-19(2)16-9-4-3-5-10-16/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,18,20)
InChIKeyNNMXRMMRLRAOAZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide (PubChem CID 121420012) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
PubChem CID121420012
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(C)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-7-6-8-15(13-14)17(20)18-11-12-19(2)16-9-4-3-5-10-16/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,18,20)
InChIKeyNNMXRMMRLRAOAZ-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315
(2E)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46259081
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide (CID 121420012) is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN(C)C2CCCCC2)c1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide?
The InChIKey is NNMXRMMRLRAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-7-6-8-15(13-14)17(20)18-11-12-19(2)16-9-4-3-5-10-16/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 121420012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).