2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride

C16H25ClN2O — CID 119687041

IUPAC2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
SMILESCCC(NC(=O)CNCC1CC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-15(14-8-4-12(2)5-9-14)18-16(19)11-17-10-13-6-7-13;/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3,(H,18,19);1H
InChIKeyFQTBBRJWDCBOJR-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.98
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride (PubChem CID 119687041) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
PubChem CID119687041
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
SMILESCCC(NC(=O)CNCC1CC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-15(14-8-4-12(2)5-9-14)18-16(19)11-17-10-13-6-7-13;/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3,(H,18,19);1H
InChIKeyFQTBBRJWDCBOJR-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride (CID 119687041) is 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride is CCC(NC(=O)CNCC1CC1)c1ccc(C)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride?
The InChIKey is FQTBBRJWDCBOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-3-15(14-8-4-12(2)5-9-14)18-16(19)11-17-10-13-6-7-13;/h4-5,8-9,13,15,17H,3,6-7,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119687041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).