N-[(4-methoxyphenyl)methyl]pentanamide

C13H19NO2 — CID 2169969

IUPACN-[(4-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-13(15)14-10-11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyRBTLWMKJLGFVHU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]pentanamide

N-[(4-methoxyphenyl)methyl]pentanamide (PubChem CID 2169969) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]pentanamide
PubChem CID2169969
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(4-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-13(15)14-10-11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyRBTLWMKJLGFVHU-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminooxyphenyl)methyl]pentanamide
CID 23579213
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]pentanamide (CID 2169969) is N-[(4-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]pentanamide is CCCCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]pentanamide?
The InChIKey is RBTLWMKJLGFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-13(15)14-10-11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-methoxyphenyl)methyl]pentanamide?
N-[(4-methoxyphenyl)methyl]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 2169969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).