(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide

C18H28N2O — CID 119321524

IUPAC(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
SMILESCC(C)c1ccc(C2(CNC(=O)[C@@H](C)N)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)18(10-4-5-11-18)12-20-17(21)14(3)19/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyUQZZIGVBRFZOBA-CQSZACIVSA-N
MW288.44 g/mol
LogP3.09
Rot. Bonds5

About (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide

(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide (PubChem CID 119321524) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
PubChem CID119321524
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
SMILESCC(C)c1ccc(C2(CNC(=O)[C@@H](C)N)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)18(10-4-5-11-18)12-20-17(21)14(3)19/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyUQZZIGVBRFZOBA-CQSZACIVSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780053
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide (CID 119321524) is (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide is CC(C)c1ccc(C2(CNC(=O)[C@@H](C)N)CCCC2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide?
The InChIKey is UQZZIGVBRFZOBA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)15-6-8-16(9-7-15)18(10-4-5-11-18)12-20-17(21)14(3)19/h6-9,13-14H,4-5,10-12,19H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide?
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 119321524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).