2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride

C17H27ClN2O — CID 119729649

IUPAC2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CN(C(=O)CNc1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(2)13-19(16-10-6-7-11-16)17(20)12-18-15-8-4-3-5-9-15;/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3;1H
InChIKeyHJHSYQSKPIRPPA-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.95
Rot. Bonds6

About 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride

2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride (PubChem CID 119729649) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
PubChem CID119729649
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CN(C(=O)CNc1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(2)13-19(16-10-6-7-11-16)17(20)12-18-15-8-4-3-5-9-15;/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3;1H
InChIKeyHJHSYQSKPIRPPA-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 60938792
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
CID 119703213
2-(tert-butylamino)-N-cyclopentyl-N-(2-methylpropyl)acetamide
CID 112727507
2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
CID 119704430
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
2-anilino-1-cyclobutylethanone
CID 116555468
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride (CID 119729649) is 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride is CC(C)CN(C(=O)CNc1ccccc1)C1CCCC1.Cl.
What is the InChIKey of 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is HJHSYQSKPIRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-14(2)13-19(16-10-6-7-11-16)17(20)12-18-15-8-4-3-5-9-15;/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3;1H.
What are the key properties of 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride?
2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119729649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).