N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide

C17H25NO2 — CID 79245883

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)15(12-19)18-16(20)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13,15,19H,6-7,10-12H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyNCMFXDYHALYFDB-OAHLLOKOSA-N
MW275.39 g/mol
LogP2.63
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 79245883) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID79245883
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)15(12-19)18-16(20)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13,15,19H,6-7,10-12H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyNCMFXDYHALYFDB-OAHLLOKOSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide (CID 79245883) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide is CC(C)[C@@H](CO)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is NCMFXDYHALYFDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)15(12-19)18-16(20)17(10-6-7-11-17)14-8-4-3-5-9-14/h3-5,8-9,13,15,19H,6-7,10-12H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 79245883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).