N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride

C17H27ClN2O — CID 3069983

IUPACN-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-19(4-2)13-17(20)18-16-11-9-15(10-12-16)14-7-5-6-8-14;/h9-12,14H,3-8,13H2,1-2H3,(H,18,20);1H
InChIKeyBNLGURDPQCYQDR-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.05
Rot. Bonds6

About N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride

N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 3069983) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID3069983
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-19(4-2)13-17(20)18-16-11-9-15(10-12-16)14-7-5-6-8-14;/h9-12,14H,3-8,13H2,1-2H3,(H,18,20);1H
InChIKeyBNLGURDPQCYQDR-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride (CID 3069983) is N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)Nc1ccc(C2CCCC2)cc1.Cl.
What is the InChIKey of N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is BNLGURDPQCYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-19(4-2)13-17(20)18-16-11-9-15(10-12-16)14-7-5-6-8-14;/h9-12,14H,3-8,13H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride?
N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylphenyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 3069983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).