2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride

C18H31Cl2N3O — CID 119399169

IUPAC2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCC1N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)17(14-9-6-5-7-10-14)13-20-18(22)15-11-8-12-16(15)19;;/h5-7,9-10,15-17H,3-4,8,11-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyPAQRVQXMIKLXLA-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.16
Rot. Bonds7

About 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride

2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119399169) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119399169
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCC1N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)17(14-9-6-5-7-10-14)13-20-18(22)15-11-8-12-16(15)19;;/h5-7,9-10,15-17H,3-4,8,11-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyPAQRVQXMIKLXLA-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
2-amino-N-(2-methyl-2-phenylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119724297
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
3-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 64824640

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119399169) is 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)C1CCCC1N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is PAQRVQXMIKLXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-3-21(4-2)17(14-9-6-5-7-10-14)13-20-18(22)15-11-8-12-16(15)19;;/h5-7,9-10,15-17H,3-4,8,11-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119399169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).