(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide

C17H26N2O2 — CID 61178379

IUPAC(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)16(18)17(20)19-13-8-10-15(11-9-13)21-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12-,16-/m0/s1
InChIKeyPSKAQLHLZFRVOU-LRDDRELGSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds6

About (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide (PubChem CID 61178379) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
PubChem CID61178379
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)16(18)17(20)19-13-8-10-15(11-9-13)21-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12-,16-/m0/s1
InChIKeyPSKAQLHLZFRVOU-LRDDRELGSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-cyclopentyloxyphenyl)pentanamide;hydrochloride
CID 119284685
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide (CID 61178379) is (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide?
The InChIKey is PSKAQLHLZFRVOU-LRDDRELGSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12(2)16(18)17(20)19-13-8-10-15(11-9-13)21-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12-,16-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 61178379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).