N-(3-methoxypropyl)-3-phenylpropanamide

C13H19NO2 — CID 2169912

IUPACN-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-11-5-10-14-13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)
InChIKeyCQNFRFCZGUDWRM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds7

About N-(3-methoxypropyl)-3-phenylpropanamide

N-(3-methoxypropyl)-3-phenylpropanamide (PubChem CID 2169912) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-phenylpropanamide
PubChem CID2169912
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-11-5-10-14-13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)
InChIKeyCQNFRFCZGUDWRM-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
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-methoxypropyl)-3-phenylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-3-phenylpropanamide (CID 2169912) is N-(3-methoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-phenylpropanamide is COCCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-3-phenylpropanamide?
The InChIKey is CQNFRFCZGUDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-11-5-10-14-13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-3-phenylpropanamide?
N-(3-methoxypropyl)-3-phenylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 2169912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).