ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide

C23H34N2O — CID 142168077

IUPACethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
SMILESCC.O=C(CCNCCCc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C21H28N2O.C2H6/c24-21(23-17-8-14-20-11-5-2-6-12-20)15-18-22-16-7-13-19-9-3-1-4-10-19;1-2/h1-6,9-12,22H,7-8,13-18H2,(H,23,24);1-2H3
InChIKeyQXTYJEBTYFZQPX-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.37
Rot. Bonds11

About ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide

ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide (PubChem CID 142168077) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound Nameethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
PubChem CID142168077
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Nameethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
SMILESCC.O=C(CCNCCCc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C21H28N2O.C2H6/c24-21(23-17-8-14-20-11-5-2-6-12-20)15-18-22-16-7-13-19-9-3-1-4-10-19;1-2/h1-6,9-12,22H,7-8,13-18H2,(H,23,24);1-2H3
InChIKeyQXTYJEBTYFZQPX-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide?
The IUPAC name of ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide (CID 142168077) is ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide is CC.O=C(CCNCCCc1ccccc1)NCCCc1ccccc1.
What is the InChIKey of ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide?
The InChIKey is QXTYJEBTYFZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C2H6/c24-21(23-17-8-14-20-11-5-2-6-12-20)15-18-22-16-7-13-19-9-3-1-4-10-19;1-2/h1-6,9-12,22H,7-8,13-18H2,(H,23,24);1-2H3.
What are the key properties of ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide?
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide has a molecular weight of 354.54 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 142168077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).