2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride

C14H21ClN2O — CID 119670640

IUPAC2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CNCC2CC2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-3-6-13(7-11(10)2)16-14(17)9-15-8-12-4-5-12;/h3,6-7,12,15H,4-5,8-9H2,1-2H3,(H,16,17);1H
InChIKeyGUORVRCZDBMPHK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride (PubChem CID 119670640) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
PubChem CID119670640
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CNCC2CC2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-3-6-13(7-11(10)2)16-14(17)9-15-8-12-4-5-12;/h3,6-7,12,15H,4-5,8-9H2,1-2H3,(H,16,17);1H
InChIKeyGUORVRCZDBMPHK-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
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2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119725688
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride (CID 119670640) is 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CNCC2CC2)cc1C.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is GUORVRCZDBMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-3-6-13(7-11(10)2)16-14(17)9-15-8-12-4-5-12;/h3,6-7,12,15H,4-5,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119670640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).