N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride

C16H27ClN2O — CID 119996307

IUPACN-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC(C)CN)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-16(5-2,14-9-7-6-8-10-14)15(19)18-12-13(3)11-17;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyIQTHMVQKNTVTNM-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.88
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride (PubChem CID 119996307) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
PubChem CID119996307
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC(C)CN)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-16(5-2,14-9-7-6-8-10-14)15(19)18-12-13(3)11-17;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyIQTHMVQKNTVTNM-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737
3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
CID 119237596
N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119627567
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 119996739
4-amino-N-ethyl-2,3-dimethyl-2-phenylbutanamide;methanol
CID 143150724
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride (CID 119996307) is N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride is CCC(CC)(C(=O)NCC(C)CN)c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
The InChIKey is IQTHMVQKNTVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-16(5-2,14-9-7-6-8-10-14)15(19)18-12-13(3)11-17;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119996307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).