5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide

C14H21NO2 — CID 81380310

IUPAC5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)CCCCO
InChIInChI=1S/C14H21NO2/c1-11-7-3-4-8-13(11)12(2)15-14(17)9-5-6-10-16/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyMKFXPQFJVISYRC-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.33
Rot. Bonds6

About 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide

5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide (PubChem CID 81380310) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
PubChem CID81380310
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)CCCCO
InChIInChI=1S/C14H21NO2/c1-11-7-3-4-8-13(11)12(2)15-14(17)9-5-6-10-16/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyMKFXPQFJVISYRC-GFCCVEGCSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892
4-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]butanoic acid
CID 43473634
2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 60692471

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide (CID 81380310) is 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide is Cc1ccccc1[C@@H](C)NC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The InChIKey is MKFXPQFJVISYRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-7-3-4-8-13(11)12(2)15-14(17)9-5-6-10-16/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 81380310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).