N-[3-(3-methoxyphenyl)propyl]butanamide

C14H21NO2 — CID 10421581

IUPACN-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-6-14(16)15-10-5-8-12-7-4-9-13(11-12)17-2/h4,7,9,11H,3,5-6,8,10H2,1-2H3,(H,15,16)
InChIKeyMNDQDKOXQCOYMY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds7

About N-[3-(3-methoxyphenyl)propyl]butanamide

N-[3-(3-methoxyphenyl)propyl]butanamide (PubChem CID 10421581) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]butanamide
PubChem CID10421581
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-3-6-14(16)15-10-5-8-12-7-4-9-13(11-12)17-2/h4,7,9,11H,3,5-6,8,10H2,1-2H3,(H,15,16)
InChIKeyMNDQDKOXQCOYMY-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]butanamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]butanamide (CID 10421581) is N-[3-(3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]butanamide is CCCC(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]butanamide?
The InChIKey is MNDQDKOXQCOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-6-14(16)15-10-5-8-12-7-4-9-13(11-12)17-2/h4,7,9,11H,3,5-6,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]butanamide?
N-[3-(3-methoxyphenyl)propyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 10421581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).