3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

C23H26N4O2 — CID 55839808

IUPAC3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)22(26-21(28)14-17-6-4-3-5-7-17)23(29)24-15-18-8-10-19(11-9-18)20-12-13-25-27-20/h3-13,16,22H,14-15H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyOUQJKHAUJOZKNC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds8

About 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 55839808) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
PubChem CID55839808
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(2)22(26-21(28)14-17-6-4-3-5-7-17)23(29)24-15-18-8-10-19(11-9-18)20-12-13-25-27-20/h3-13,16,22H,14-15H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyOUQJKHAUJOZKNC-UHFFFAOYSA-N
XLogP3.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide with MolForge

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Related Compounds

(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8564224
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573132
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]butanamide
CID 46121753
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide
CID 8969342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (CID 55839808) is 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is OUQJKHAUJOZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)22(26-21(28)14-17-6-4-3-5-7-17)23(29)24-15-18-8-10-19(11-9-18)20-12-13-25-27-20/h3-13,16,22H,14-15H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 390.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 55839808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).