3-(ethylamino)-N-(3-phenylpropyl)butanamide

C15H24N2O — CID 62839193

IUPAC3-(ethylamino)-N-(3-phenylpropyl)butanamide
SMILESCCNC(C)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-16-13(2)12-15(18)17-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyBGPPDXXYGAYIKF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds8

About 3-(ethylamino)-N-(3-phenylpropyl)butanamide

3-(ethylamino)-N-(3-phenylpropyl)butanamide (PubChem CID 62839193) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-phenylpropyl)butanamide
PubChem CID62839193
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(ethylamino)-N-(3-phenylpropyl)butanamide
SMILESCCNC(C)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-16-13(2)12-15(18)17-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyBGPPDXXYGAYIKF-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
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

(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(3-phenylpropyl)butanamide (CID 62839193) is 3-(ethylamino)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-phenylpropyl)butanamide is CCNC(C)CC(=O)NCCCc1ccccc1.
What is the InChIKey of 3-(ethylamino)-N-(3-phenylpropyl)butanamide?
The InChIKey is BGPPDXXYGAYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-13(2)12-15(18)17-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,16H,3,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-(3-phenylpropyl)butanamide?
3-(ethylamino)-N-(3-phenylpropyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 62839193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).