N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide

C15H22N2O — CID 107180698

IUPACN-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11-6-5-9-13(11)15(18)17-10-14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeyQPJREZLVJAICFI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.24
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide

N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107180698) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107180698
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11-6-5-9-13(11)15(18)17-10-14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10,16H2,1H3,(H,17,18)
InChIKeyQPJREZLVJAICFI-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648
N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107184155
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
CID 107175600
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide
CID 119528854
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide (CID 107180698) is N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is QPJREZLVJAICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-5-9-13(11)15(18)17-10-14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide?
N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).