2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride

C17H27ClN2O — CID 119765459

IUPAC2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-7-5-4-6-8-15)19-16(20)12-18-11-14-9-10-14;/h4-8,13-14,18H,9-12H2,1-3H3,(H,19,20);1H
InChIKeyIDBYIVDJSBZFOO-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.89
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119765459) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
PubChem CID119765459
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-7-5-4-6-8-15)19-16(20)12-18-11-14-9-10-14;/h4-8,13-14,18H,9-12H2,1-3H3,(H,19,20);1H
InChIKeyIDBYIVDJSBZFOO-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
CID 119765445
2-(cyclopropylmethylamino)-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119808436
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119772417
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride
CID 119716489

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride (CID 119765459) is 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride is CC(NC(=O)CNCC1CC1)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is IDBYIVDJSBZFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-7-5-4-6-8-15)19-16(20)12-18-11-14-9-10-14;/h4-8,13-14,18H,9-12H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).