6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide

C17H28N2O — CID 65290908

IUPAC6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,12-13-18)11-10-16(20)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3,(H,19,20)
InChIKeyMFPPNBMBEGCUPL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds9

About 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide

6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide (PubChem CID 65290908) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
PubChem CID65290908
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-17(2,12-13-18)11-10-16(20)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3,(H,19,20)
InChIKeyMFPPNBMBEGCUPL-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
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

9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
CID 154978899
7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide (CID 65290908) is 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide is CC(C)(CCN)CCC(=O)NCCCc1ccccc1.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide?
The InChIKey is MFPPNBMBEGCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,12-13-18)11-10-16(20)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide?
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide has a molecular weight of 276.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide is sourced from PubChem (CID 65290908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).