2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride

C16H27Cl2N3O — CID 119883167

IUPAC2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)CNCC2CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)15-6-4-5-14(9-15)18-16(20)11-17-10-13-7-8-13;;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyCOWAACUBMZNLNY-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.31
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride (PubChem CID 119883167) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
PubChem CID119883167
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)CNCC2CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)15-6-4-5-14(9-15)18-16(20)11-17-10-13-7-8-13;;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyCOWAACUBMZNLNY-UHFFFAOYSA-N
XLogP3.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
CID 119767750
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 95233739
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
CID 119883127
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride (CID 119883167) is 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride is CC(C)N(C)c1cccc(NC(=O)CNCC2CC2)c1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride?
The InChIKey is COWAACUBMZNLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12(2)19(3)15-6-4-5-14(9-15)18-16(20)11-17-10-13-7-8-13;;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119883167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).