N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide

C16H25NO2 — CID 103862326

IUPACN-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCCC(C)CO
InChIInChI=1S/C16H25NO2/c1-13(12-18)6-5-11-17-16(19)10-9-15-8-4-3-7-14(15)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyRKXIPCRUCNVINU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide

N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide (PubChem CID 103862326) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
PubChem CID103862326
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCCC(C)CO
InChIInChI=1S/C16H25NO2/c1-13(12-18)6-5-11-17-16(19)10-9-15-8-4-3-7-14(15)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3,(H,17,19)
InChIKeyRKXIPCRUCNVINU-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
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

N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-[3-[(2-cyanoacetyl)amino]propyl]-3-(2-methylphenyl)propanamide
CID 108924383
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide (CID 103862326) is N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide?
The InChIKey is RKXIPCRUCNVINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(12-18)6-5-11-17-16(19)10-9-15-8-4-3-7-14(15)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide?
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 103862326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).