8-amino-3-phenyl-3-(2-phenylethyl)octanamide

C22H30N2O — CID 57082244

IUPAC8-amino-3-phenyl-3-(2-phenylethyl)octanamide
SMILESNCCCCCC(CCc1ccccc1)(CC(N)=O)c1ccccc1
InChIInChI=1S/C22H30N2O/c23-17-9-3-8-15-22(18-21(24)25,20-12-6-2-7-13-20)16-14-19-10-4-1-5-11-19/h1-2,4-7,10-13H,3,8-9,14-18,23H2,(H2,24,25)
InChIKeyMFFZGMIFGLTCGN-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.95
Rot. Bonds11

About 8-amino-3-phenyl-3-(2-phenylethyl)octanamide

8-amino-3-phenyl-3-(2-phenylethyl)octanamide (PubChem CID 57082244) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 8-amino-3-phenyl-3-(2-phenylethyl)octanamide.

Molecular Properties

Compound Name8-amino-3-phenyl-3-(2-phenylethyl)octanamide
PubChem CID57082244
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name8-amino-3-phenyl-3-(2-phenylethyl)octanamide
SMILESNCCCCCC(CCc1ccccc1)(CC(N)=O)c1ccccc1
InChIInChI=1S/C22H30N2O/c23-17-9-3-8-15-22(18-21(24)25,20-12-6-2-7-13-20)16-14-19-10-4-1-5-11-19/h1-2,4-7,10-13H,3,8-9,14-18,23H2,(H2,24,25)
InChIKeyMFFZGMIFGLTCGN-UHFFFAOYSA-N
XLogP3.95
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.95
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

3,8-diamino-3-trityloctanoic acid
CID 142728683
13-phenyltridecan-1-amine
CID 19801439
(2-benzyl-1,4-diphenylbutan-2-yl)benzene
CID 21493579
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
8-amino-1-phenyloctan-4-one
CID 116571907
3,3-diphenylpentanediamide
CID 141227643
4-phenylbutan-1-amine;hydrochloride
CID 44630065
3-(ethylamino)-3-methyl-5-phenylpentanamide
CID 65233623
benzene;3-phenylpropan-1-amine
CID 174865683
(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-phenyl-3-(2-phenylethyl)octanamide?
The IUPAC name of 8-amino-3-phenyl-3-(2-phenylethyl)octanamide (CID 57082244) is 8-amino-3-phenyl-3-(2-phenylethyl)octanamide.
What is the SMILES notation for 8-amino-3-phenyl-3-(2-phenylethyl)octanamide?
The canonical SMILES for 8-amino-3-phenyl-3-(2-phenylethyl)octanamide is NCCCCCC(CCc1ccccc1)(CC(N)=O)c1ccccc1.
What is the InChIKey of 8-amino-3-phenyl-3-(2-phenylethyl)octanamide?
The InChIKey is MFFZGMIFGLTCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c23-17-9-3-8-15-22(18-21(24)25,20-12-6-2-7-13-20)16-14-19-10-4-1-5-11-19/h1-2,4-7,10-13H,3,8-9,14-18,23H2,(H2,24,25).
What are the key properties of 8-amino-3-phenyl-3-(2-phenylethyl)octanamide?
8-amino-3-phenyl-3-(2-phenylethyl)octanamide has a molecular weight of 338.50 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-phenyl-3-(2-phenylethyl)octanamide is sourced from PubChem (CID 57082244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).