N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide

C17H26N2O — CID 119525287

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)13-7-9-14(10-8-13)16(18)11-19-17(20)15-5-3-4-6-15/h7-10,12,15-16H,3-6,11,18H2,1-2H3,(H,19,20)
InChIKeyYNRGZUAQCNONKT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 119525287) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
PubChem CID119525287
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)13-7-9-14(10-8-13)16(18)11-19-17(20)15-5-3-4-6-15/h7-10,12,15-16H,3-6,11,18H2,1-2H3,(H,19,20)
InChIKeyYNRGZUAQCNONKT-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(cyclohexylcarbamoylamino)acetamide
CID 119526973
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 154578033
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide (CID 119525287) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide is CC(C)c1ccc(C(N)CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is YNRGZUAQCNONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)13-7-9-14(10-8-13)16(18)11-19-17(20)15-5-3-4-6-15/h7-10,12,15-16H,3-6,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 119525287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).