2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride

C16H25ClN2O — CID 119704430

IUPAC2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
SMILESCN(CC1CCCCC1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-18(13-14-8-4-2-5-9-14)16(19)12-17-15-10-6-3-7-11-15;/h3,6-7,10-11,14,17H,2,4-5,8-9,12-13H2,1H3;1H
InChIKeyADSDKBCIPQGFST-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.56
Rot. Bonds5

About 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride

2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride (PubChem CID 119704430) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
PubChem CID119704430
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
SMILESCN(CC1CCCCC1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-18(13-14-8-4-2-5-9-14)16(19)12-17-15-10-6-3-7-11-15;/h3,6-7,10-11,14,17H,2,4-5,8-9,12-13H2,1H3;1H
InChIKeyADSDKBCIPQGFST-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyclohexylmethyl)-N-methyl-3-(2-methylanilino)propanamide
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2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
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2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-anilino-N,N-diethylacetamide;hydrochloride
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4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride?
The IUPAC name of 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride (CID 119704430) is 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride is CN(CC1CCCCC1)C(=O)CNc1ccccc1.Cl.
What is the InChIKey of 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride?
The InChIKey is ADSDKBCIPQGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-18(13-14-8-4-2-5-9-14)16(19)12-17-15-10-6-3-7-11-15;/h3,6-7,10-11,14,17H,2,4-5,8-9,12-13H2,1H3;1H.
What are the key properties of 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride?
2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119704430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).