N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride

C16H25ClN2O — CID 119259809

IUPACN-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1CC(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-7-3-4-8-14(13)11-15(19)18-12-16(17)9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H,18,19);1H
InChIKeyGNGHDTMDTZCGIJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.74
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 119259809) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
PubChem CID119259809
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1CC(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-7-3-4-8-14(13)11-15(19)18-12-16(17)9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H,18,19);1H
InChIKeyGNGHDTMDTZCGIJ-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride (CID 119259809) is N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride is Cc1ccccc1CC(=O)NCC1(N)CCCCC1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is GNGHDTMDTZCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13-7-3-4-8-14(13)11-15(19)18-12-16(17)9-5-2-6-10-16;/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H,18,19);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119259809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).