N-(3-amino-3-phenylpropyl)octanamide

C17H28N2O — CID 80506646

IUPACN-(3-amino-3-phenylpropyl)octanamide
SMILESCCCCCCCC(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-9-12-17(20)19-14-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14,18H2,1H3,(H,19,20)
InChIKeyCXTSJOVBLLPFAA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds10

About N-(3-amino-3-phenylpropyl)octanamide

N-(3-amino-3-phenylpropyl)octanamide (PubChem CID 80506646) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)octanamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)octanamide
PubChem CID80506646
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-amino-3-phenylpropyl)octanamide
SMILESCCCCCCCC(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-9-12-17(20)19-14-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14,18H2,1H3,(H,19,20)
InChIKeyCXTSJOVBLLPFAA-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 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 ≤ 53.55
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-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
(1S,2R)-2-amino-1-phenylpropan-1-ol;N'-hexylhexanediamide
CID 174827911
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
1-phenyldecan-1-amine
CID 43175860
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)octanamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)octanamide (CID 80506646) is N-(3-amino-3-phenylpropyl)octanamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)octanamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)octanamide is CCCCCCCC(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)octanamide?
The InChIKey is CXTSJOVBLLPFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-4-5-9-12-17(20)19-14-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-3-phenylpropyl)octanamide?
N-(3-amino-3-phenylpropyl)octanamide has a molecular weight of 276.42 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)octanamide is sourced from PubChem (CID 80506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).