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

C16H27ClN2O — CID 119801288

IUPAC3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
SMILESCCC(NC(=O)CC(C)N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-14(18-15(19)11-12(2)17)16(3,4)13-9-7-6-8-10-13;/h6-10,12,14H,5,11,17H2,1-4H3,(H,18,19);1H
InChIKeyMDKINGFWSRQZBG-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.02
Rot. Bonds6

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

3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride (PubChem CID 119801288) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
PubChem CID119801288
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
SMILESCCC(NC(=O)CC(C)N)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-14(18-15(19)11-12(2)17)16(3,4)13-9-7-6-8-10-13;/h6-10,12,14H,5,11,17H2,1-4H3,(H,18,19);1H
InChIKeyMDKINGFWSRQZBG-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 120501519
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
CID 120611247
1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
CID 111507058
3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
CID 119801858
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 119777277
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide
CID 119821276
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride (CID 119801288) is 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride is CCC(NC(=O)CC(C)N)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
The InChIKey is MDKINGFWSRQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-14(18-15(19)11-12(2)17)16(3,4)13-9-7-6-8-10-13;/h6-10,12,14H,5,11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride?
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119801288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).