N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide

C17H27NO3 — CID 107202307

IUPACN-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C17H27NO3/c1-15-8-10-16(11-9-15)21-14-6-7-17(20)18(2)12-4-3-5-13-19/h8-11,19H,3-7,12-14H2,1-2H3
InChIKeyPBWFWBGXHMOWFC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds10

About N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide

N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide (PubChem CID 107202307) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
PubChem CID107202307
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C17H27NO3/c1-15-8-10-16(11-9-15)21-14-6-7-17(20)18(2)12-4-3-5-13-19/h8-11,19H,3-7,12-14H2,1-2H3
InChIKeyPBWFWBGXHMOWFC-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
N-methoxy-N-methyl-4-(4-methylphenoxy)butanamide
CID 23551672
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
methyl acetate;6-(4-methylphenoxy)hexan-1-ol
CID 144725610
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide (CID 107202307) is N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)N(C)CCCCCO)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide?
The InChIKey is PBWFWBGXHMOWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15-8-10-16(11-9-15)21-14-6-7-17(20)18(2)12-4-3-5-13-19/h8-11,19H,3-7,12-14H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide?
N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 107202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).