3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride

C17H29ClN2O — CID 120501519

IUPAC3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
SMILESCCC(NC(=O)C(C)C(C)N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-6-15(19-16(20)12(2)13(3)18)17(4,5)14-10-8-7-9-11-14;/h7-13,15H,6,18H2,1-5H3,(H,19,20);1H
InChIKeyOHBKPBAXVKVWGD-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.26
Rot. Bonds6

About 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride

3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride (PubChem CID 120501519) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
PubChem CID120501519
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
SMILESCCC(NC(=O)C(C)C(C)N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-6-15(19-16(20)12(2)13(3)18)17(4,5)14-10-8-7-9-11-14;/h7-13,15H,6,18H2,1-5H3,(H,19,20);1H
InChIKeyOHBKPBAXVKVWGD-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;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-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-amino-N-(1,1-diphenylethyl)-2-methylbutanamide
CID 120500430
1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
CID 111507058
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
CID 120611247
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 104902011
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride (CID 120501519) is 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride is CCC(NC(=O)C(C)C(C)N)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The InChIKey is OHBKPBAXVKVWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-6-15(19-16(20)12(2)13(3)18)17(4,5)14-10-8-7-9-11-14;/h7-13,15H,6,18H2,1-5H3,(H,19,20);1H.
What are the key properties of 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120501519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).