3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride

C16H27ClN2O2 — CID 119952032

IUPAC3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
SMILESCC(O)CC(C)(C)CNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(19)10-16(2,3)11-18-15(20)9-14(17)13-7-5-4-6-8-13;/h4-8,12,14,19H,9-11,17H2,1-3H3,(H,18,20);1H
InChIKeyBENQAFQMNFUKKB-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.41
Rot. Bonds7

About 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119952032) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
PubChem CID119952032
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
SMILESCC(O)CC(C)(C)CNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(19)10-16(2,3)11-18-15(20)9-14(17)13-7-5-4-6-8-13;/h4-8,12,14,19H,9-11,17H2,1-3H3,(H,18,20);1H
InChIKeyBENQAFQMNFUKKB-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
2-amino-N-(4-hydroxy-2,2-dimethylpentyl)-2-phenylacetamide;hydrochloride
CID 119334689
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride (CID 119952032) is 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride is CC(O)CC(C)(C)CNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is BENQAFQMNFUKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(19)10-16(2,3)11-18-15(20)9-14(17)13-7-5-4-6-8-13;/h4-8,12,14,19H,9-11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).