N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide

C15H22N2O — CID 70408789

IUPACN-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-11-16-13-10-15(18)17-12-6-9-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2,(H,17,18)
InChIKeyIYNLXSQNRAASSO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds9

About N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide

N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide (PubChem CID 70408789) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
PubChem CID70408789
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-11-16-13-10-15(18)17-12-6-9-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2,(H,17,18)
InChIKeyIYNLXSQNRAASSO-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
N-hexyl-3-phenylpropanamide;N-prop-2-enylformamide
CID 143196277
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(4-phenylbutyl)hexanamide
CID 4985988
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-(2-phenylethyl)undec-10-enamide
CID 3930064
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide (CID 70408789) is N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is IYNLXSQNRAASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-11-16-13-10-15(18)17-12-6-9-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2,(H,17,18).
What are the key properties of N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide?
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 246.35 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 70408789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).