3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide

C17H26N2O — CID 119783511

IUPAC3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)C1CCC(N)C1
InChIInChI=1S/C17H26N2O/c1-12(2)16(13-7-5-4-6-8-13)19(3)17(20)14-9-10-15(18)11-14/h4-8,12,14-16H,9-11,18H2,1-3H3
InChIKeyNYVJIBVZQJXGPI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide

3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide (PubChem CID 119783511) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
PubChem CID119783511
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)C1CCC(N)C1
InChIInChI=1S/C17H26N2O/c1-12(2)16(13-7-5-4-6-8-13)19(3)17(20)14-9-10-15(18)11-14/h4-8,12,14-16H,9-11,18H2,1-3H3
InChIKeyNYVJIBVZQJXGPI-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
3-amino-N-(1-cyclopropylethyl)-N-methylcyclopentane-1-carboxamide
CID 66032087
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
(2S)-N-methyl-N-[(1R)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531726
(2S)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531725
N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014606
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124515814
cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide (CID 119783511) is 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide is CC(C)C(c1ccccc1)N(C)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide?
The InChIKey is NYVJIBVZQJXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)16(13-7-5-4-6-8-13)19(3)17(20)14-9-10-15(18)11-14/h4-8,12,14-16H,9-11,18H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide?
3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119783511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).