3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride

C16H26ClN3O2 — CID 119500815

IUPAC3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)C(NC(=O)CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(2)11-14(20)19-15(13-7-5-4-6-8-13)16(21)18-10-9-17-3;/h4-8,12,15,17H,9-11H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyGLQGJEACPWHECB-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.65
Rot. Bonds8

About 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride

3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride (PubChem CID 119500815) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
PubChem CID119500815
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)C(NC(=O)CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-12(2)11-14(20)19-15(13-7-5-4-6-8-13)16(21)18-10-9-17-3;/h4-8,12,15,17H,9-11H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyGLQGJEACPWHECB-UHFFFAOYSA-N
XLogP1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
2-[[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244768
3-methyl-N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119539222
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
N-(3,3-diphenylpropyl)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 42703936
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide;hydrochloride
CID 119653358
2-(4-bromophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82095243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride (CID 119500815) is 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride is CNCCNC(=O)C(NC(=O)CC(C)C)c1ccccc1.Cl.
What is the InChIKey of 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride?
The InChIKey is GLQGJEACPWHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-12(2)11-14(20)19-15(13-7-5-4-6-8-13)16(21)18-10-9-17-3;/h4-8,12,15,17H,9-11H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride?
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride is sourced from PubChem (CID 119500815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).