3-(tert-butylamino)-N-(3-phenylpropyl)propanamide

C16H26N2O — CID 60913635

IUPAC3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)18-13-11-15(19)17-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyWCARIBJZPJYTMV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.51
Rot. Bonds7

About 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide

3-(tert-butylamino)-N-(3-phenylpropyl)propanamide (PubChem CID 60913635) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
PubChem CID60913635
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)18-13-11-15(19)17-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyWCARIBJZPJYTMV-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.51
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-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
CID 109030837
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide (CID 60913635) is 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide is CC(C)(C)NCCC(=O)NCCCc1ccccc1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide?
The InChIKey is WCARIBJZPJYTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)18-13-11-15(19)17-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,18H,7,10-13H2,1-3H3,(H,17,19).
What are the key properties of 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide?
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 60913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).