N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide

C17H27NO2 — CID 111447562

IUPACN-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCC(C)CC(C)O
InChIInChI=1S/C17H27NO2/c1-12(9-15(4)19)11-18-17(20)10-14(3)16-8-6-5-7-13(16)2/h5-8,12,14-15,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyUVWFMUVYRKWQFL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.01
Rot. Bonds7

About N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide

N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide (PubChem CID 111447562) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
PubChem CID111447562
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCC(C)CC(C)O
InChIInChI=1S/C17H27NO2/c1-12(9-15(4)19)11-18-17(20)10-14(3)16-8-6-5-7-13(16)2/h5-8,12,14-15,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyUVWFMUVYRKWQFL-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
4-methyl-2-[[3-(2-methylphenyl)butanoylamino]methyl]pentanoic acid
CID 119252905
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 111662203
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-[(2R)-2-(2-methylphenyl)propyl]acetamide
CID 138978535
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide (CID 111447562) is N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide is Cc1ccccc1C(C)CC(=O)NCC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide?
The InChIKey is UVWFMUVYRKWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(9-15(4)19)11-18-17(20)10-14(3)16-8-6-5-7-13(16)2/h5-8,12,14-15,19H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide?
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide is sourced from PubChem (CID 111447562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).