2-(octylamino)-N-phenylpropanamide

C17H28N2O — CID 78914372

IUPAC2-(octylamino)-N-phenylpropanamide
SMILESCCCCCCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-18-15(2)17(20)19-16-12-9-8-10-13-16/h8-10,12-13,15,18H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeyFGSSGDCWKGTJBR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.96
Rot. Bonds10

About 2-(octylamino)-N-phenylpropanamide

2-(octylamino)-N-phenylpropanamide (PubChem CID 78914372) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(octylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(octylamino)-N-phenylpropanamide
PubChem CID78914372
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(octylamino)-N-phenylpropanamide
SMILESCCCCCCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-18-15(2)17(20)19-16-12-9-8-10-13-16/h8-10,12-13,15,18H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeyFGSSGDCWKGTJBR-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.96
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-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
CID 115496240
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
2-(2-hydroxypentylamino)-N-phenylpropanamide
CID 113495789
1-dodecyl-3-phenylurea
CID 3697946
2-(benzylamino)-N-phenylpropanamide
CID 4877973

Frequently Asked Questions

What is the IUPAC name of 2-(octylamino)-N-phenylpropanamide?
The IUPAC name of 2-(octylamino)-N-phenylpropanamide (CID 78914372) is 2-(octylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(octylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(octylamino)-N-phenylpropanamide is CCCCCCCCNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(octylamino)-N-phenylpropanamide?
The InChIKey is FGSSGDCWKGTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-7-11-14-18-15(2)17(20)19-16-12-9-8-10-13-16/h8-10,12-13,15,18H,3-7,11,14H2,1-2H3,(H,19,20).
What are the key properties of 2-(octylamino)-N-phenylpropanamide?
2-(octylamino)-N-phenylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylamino)-N-phenylpropanamide is sourced from PubChem (CID 78914372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).