N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

C16H26ClN3O2 — CID 119653013

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-16(2,11-17)12-19(3)15(21)10-18-14(20)9-13-7-5-4-6-8-13;/h4-8H,9-12,17H2,1-3H3,(H,18,20);1H
InChIKeyNPVJSHMCHZVZII-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.21
Rot. Bonds7

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119653013) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119653013
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-16(2,11-17)12-19(3)15(21)10-18-14(20)9-13-7-5-4-6-8-13;/h4-8H,9-12,17H2,1-3H3,(H,18,20);1H
InChIKeyNPVJSHMCHZVZII-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide;hydrochloride
CID 119654426
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethylanilino)-N-methylacetamide;dihydrochloride
CID 119657129
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylmethoxyacetamide
CID 119654427
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119653613
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119654596
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
CID 119655425

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119653013) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CNC(=O)Cc1ccccc1.Cl.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is NPVJSHMCHZVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-16(2,11-17)12-19(3)15(21)10-18-14(20)9-13-7-5-4-6-8-13;/h4-8H,9-12,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).