(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide

C19H26N4O2 — CID 37394573

IUPAC(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-15(2)18(22-17(24)14-16-8-4-3-5-9-16)19(25)20-10-6-12-23-13-7-11-21-23/h3-5,7-9,11,13,15,18H,6,10,12,14H2,1-2H3,(H,20,25)(H,22,24)/t18-/m0/s1
InChIKeyXDFKLPCRGWJFOQ-SFHVURJKSA-N
MW342.44 g/mol
LogP1.77
Rot. Bonds9

About (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide

(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide (PubChem CID 37394573) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
PubChem CID37394573
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-15(2)18(22-17(24)14-16-8-4-3-5-9-16)19(25)20-10-6-12-23-13-7-11-21-23/h3-5,7-9,11,13,15,18H,6,10,12,14H2,1-2H3,(H,20,25)(H,22,24)/t18-/m0/s1
InChIKeyXDFKLPCRGWJFOQ-SFHVURJKSA-N
XLogP1.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide 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

(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 29218907
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51923704
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394130
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide?
The IUPAC name of (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide (CID 37394573) is (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide is CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCCn1cccn1.
What is the InChIKey of (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide?
The InChIKey is XDFKLPCRGWJFOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)18(22-17(24)14-16-8-4-3-5-9-16)19(25)20-10-6-12-23-13-7-11-21-23/h3-5,7-9,11,13,15,18H,6,10,12,14H2,1-2H3,(H,20,25)(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide?
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide has a molecular weight of 342.44 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide is sourced from PubChem (CID 37394573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).