N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide

C16H25NO3 — CID 109479061

IUPACN-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
SMILESCCC(CCO)NC(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-14(8-9-18)17-16(19)10-12(2)13-6-5-7-15(11-13)20-3/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyIWAZSJCWYLHONH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide

N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide (PubChem CID 109479061) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
PubChem CID109479061
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
SMILESCCC(CCO)NC(=O)CC(C)c1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-14(8-9-18)17-16(19)10-12(2)13-6-5-7-15(11-13)20-3/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyIWAZSJCWYLHONH-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
CID 71973986
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767310
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide (CID 109479061) is N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide is CCC(CCO)NC(=O)CC(C)c1cccc(OC)c1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide?
The InChIKey is IWAZSJCWYLHONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-14(8-9-18)17-16(19)10-12(2)13-6-5-7-15(11-13)20-3/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide?
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 109479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).