N-[2-(3-methoxyphenyl)ethyl]butanamide

C13H19NO2 — CID 10704222

IUPACN-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-5-13(15)14-9-8-11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15)
InChIKeyLBALKTRMHWHKGD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]butanamide

N-[2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 10704222) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID10704222
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-5-13(15)14-9-8-11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15)
InChIKeyLBALKTRMHWHKGD-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]butanamide (CID 10704222) is N-[2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]butanamide is CCCC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is LBALKTRMHWHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-13(15)14-9-8-11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]butanamide?
N-[2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 10704222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).