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

C13H19NO2 — CID 10104923

IUPACN-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)
InChIKeyVVTCACGOXCPEPB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds6

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

N-[3-(3-methoxyphenyl)propyl]propanamide (PubChem CID 10104923) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]propanamide
PubChem CID10104923
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[3-(3-methoxyphenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)
InChIKeyVVTCACGOXCPEPB-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

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]propanamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]propanamide (CID 10104923) is N-[3-(3-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]propanamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]propanamide is CCC(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]propanamide?
The InChIKey is VVTCACGOXCPEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]propanamide?
N-[3-(3-methoxyphenyl)propyl]propanamide 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-[3-(3-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 10104923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).