2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride

C17H27ClN2O — CID 119772417

IUPAC2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)(CCc1ccccc1)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,11-10-14-6-4-3-5-7-14)19-16(20)13-18-12-15-8-9-15;/h3-7,15,18H,8-13H2,1-2H3,(H,19,20);1H
InChIKeyIOLJKAVVFSIUQC-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.94
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119772417) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
PubChem CID119772417
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(C)(CCc1ccccc1)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,11-10-14-6-4-3-5-7-14)19-16(20)13-18-12-15-8-9-15;/h3-7,15,18H,8-13H2,1-2H3,(H,19,20);1H
InChIKeyIOLJKAVVFSIUQC-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]acetamide
CID 115673265
2-(cyclopropylmethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 60841585
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
CID 119754410
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride (CID 119772417) is 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride is CC(C)(CCc1ccccc1)NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is IOLJKAVVFSIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-17(2,11-10-14-6-4-3-5-7-14)19-16(20)13-18-12-15-8-9-15;/h3-7,15,18H,8-13H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119772417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).