3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride

C17H29ClN2O — CID 119951270

IUPAC3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)CCCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-17(2,3)11-7-8-12-19-16(20)13-15(18)14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyVVETUBNAGVOGML-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.83
Rot. Bonds7

About 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119951270) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119951270
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)(C)CCCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-17(2,3)11-7-8-12-19-16(20)13-15(18)14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyVVETUBNAGVOGML-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride (CID 119951270) is 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride is CC(C)(C)CCCCNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is VVETUBNAGVOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-17(2,3)11-7-8-12-19-16(20)13-15(18)14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).