2,2-dimethyl-3-(1-phenylhexylamino)propanamide

C17H28N2O — CID 103917134

IUPAC2,2-dimethyl-3-(1-phenylhexylamino)propanamide
SMILESCCCCCC(NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-5-7-12-15(14-10-8-6-9-11-14)19-13-17(2,3)16(18)20/h6,8-11,15,19H,4-5,7,12-13H2,1-3H3,(H2,18,20)
InChIKeyDYIJEKGZCYQPJM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.41
Rot. Bonds9

About 2,2-dimethyl-3-(1-phenylhexylamino)propanamide

2,2-dimethyl-3-(1-phenylhexylamino)propanamide (PubChem CID 103917134) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-phenylhexylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-phenylhexylamino)propanamide
PubChem CID103917134
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,2-dimethyl-3-(1-phenylhexylamino)propanamide
SMILESCCCCCC(NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-5-7-12-15(14-10-8-6-9-11-14)19-13-17(2,3)16(18)20/h6,8-11,15,19H,4-5,7,12-13H2,1-3H3,(H2,18,20)
InChIKeyDYIJEKGZCYQPJM-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

2-methyl-1-N-(1-phenyloctadecyl)propane-1,2-diamine
CID 57297317
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
CID 103917130
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
2-N,2-N,2-trimethyl-1-N-(1-phenylhexyl)propane-1,2-diamine
CID 43767793
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
N,N,2,2-tetramethyl-N'-(1-phenylhexyl)propane-1,3-diamine
CID 43758913
1-phenylhexylcarbamic acid
CID 21477897
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-phenylhexylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(1-phenylhexylamino)propanamide (CID 103917134) is 2,2-dimethyl-3-(1-phenylhexylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(1-phenylhexylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(1-phenylhexylamino)propanamide is CCCCCC(NCC(C)(C)C(N)=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(1-phenylhexylamino)propanamide?
The InChIKey is DYIJEKGZCYQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-7-12-15(14-10-8-6-9-11-14)19-13-17(2,3)16(18)20/h6,8-11,15,19H,4-5,7,12-13H2,1-3H3,(H2,18,20).
What are the key properties of 2,2-dimethyl-3-(1-phenylhexylamino)propanamide?
2,2-dimethyl-3-(1-phenylhexylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-phenylhexylamino)propanamide is sourced from PubChem (CID 103917134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).