2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide

C17H24N4O — CID 60500518

IUPAC2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)NCCCn1cccn1
InChIInChI=1S/C17H24N4O/c1-15(16-8-4-3-5-9-16)20(2)14-17(22)18-10-6-12-21-13-7-11-19-21/h3-5,7-9,11,13,15H,6,10,12,14H2,1-2H3,(H,18,22)
InChIKeyNTSVNFMDIUVEJE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.08
Rot. Bonds8

About 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide

2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 60500518) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID60500518
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)NCCCn1cccn1
InChIInChI=1S/C17H24N4O/c1-15(16-8-4-3-5-9-16)20(2)14-17(22)18-10-6-12-21-13-7-11-19-21/h3-5,7-9,11,13,15H,6,10,12,14H2,1-2H3,(H,18,22)
InChIKeyNTSVNFMDIUVEJE-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide (CID 60500518) is 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide is CC(c1ccccc1)N(C)CC(=O)NCCCn1cccn1.
What is the InChIKey of 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is NTSVNFMDIUVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-15(16-8-4-3-5-9-16)20(2)14-17(22)18-10-6-12-21-13-7-11-19-21/h3-5,7-9,11,13,15H,6,10,12,14H2,1-2H3,(H,18,22).
What are the key properties of 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide?
2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 60500518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).