N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride

C16H27ClN2O — CID 119627567

IUPACN-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC(C)(C)N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-16(6-2,13-10-8-7-9-11-13)14(19)18-12-15(3,4)17;/h7-11H,5-6,12,17H2,1-4H3,(H,18,19);1H
InChIKeyLLDCSHLWEYCQIT-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.02
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride (PubChem CID 119627567) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
PubChem CID119627567
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC(C)(C)N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-16(6-2,13-10-8-7-9-11-13)14(19)18-12-15(3,4)17;/h7-11H,5-6,12,17H2,1-4H3,(H,18,19);1H
InChIKeyLLDCSHLWEYCQIT-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

N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119996307
3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
CID 119237596
N-(2-amino-2-ethylbutyl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119641466
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride (CID 119627567) is N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride is CCC(CC)(C(=O)NCC(C)(C)N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The InChIKey is LLDCSHLWEYCQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-16(6-2,13-10-8-7-9-11-13)14(19)18-12-15(3,4)17;/h7-11H,5-6,12,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;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 N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).