3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide

C16H24N2O — CID 61109740

IUPAC3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H24N2O/c1-12-14(9-6-10-15(12)17)16(19)18(2)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11,17H2,1-2H3
InChIKeyLKFPODVYLVLEBU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.23
Rot. Bonds3

About 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide

3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide (PubChem CID 61109740) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
PubChem CID61109740
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H24N2O/c1-12-14(9-6-10-15(12)17)16(19)18(2)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11,17H2,1-2H3
InChIKeyLKFPODVYLVLEBU-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide (CID 61109740) is 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)CC1CCCCC1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The InChIKey is LKFPODVYLVLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-14(9-6-10-15(12)17)16(19)18(2)11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11,17H2,1-2H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 61109740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).