N-butyl-3-(3-phenylpropylamino)propanamide

C16H26N2O — CID 109012240

IUPACN-butyl-3-(3-phenylpropylamino)propanamide
SMILESCCCCNC(=O)CCNCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-13-18-16(19)11-14-17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19)
InChIKeyHMKSHGIGHXJODX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds10

About N-butyl-3-(3-phenylpropylamino)propanamide

N-butyl-3-(3-phenylpropylamino)propanamide (PubChem CID 109012240) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butyl-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-phenylpropylamino)propanamide
PubChem CID109012240
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butyl-3-(3-phenylpropylamino)propanamide
SMILESCCCCNC(=O)CCNCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-13-18-16(19)11-14-17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19)
InChIKeyHMKSHGIGHXJODX-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
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

ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
N-(4-phenylbutyl)hexanamide
CID 4985988
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-phenylpropylamino)propanamide?
The IUPAC name of N-butyl-3-(3-phenylpropylamino)propanamide (CID 109012240) is N-butyl-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-butyl-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-butyl-3-(3-phenylpropylamino)propanamide is CCCCNC(=O)CCNCCCc1ccccc1.
What is the InChIKey of N-butyl-3-(3-phenylpropylamino)propanamide?
The InChIKey is HMKSHGIGHXJODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-13-18-16(19)11-14-17-12-7-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19).
What are the key properties of N-butyl-3-(3-phenylpropylamino)propanamide?
N-butyl-3-(3-phenylpropylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 109012240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).