(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

C22H25N5O2 — CID 26641517

IUPAC(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)25-21(28)20(19-11-7-4-8-12-19)26(2)14-18-13-24-27(16-18)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H2,23,25,28,29)/t20-/m0/s1
InChIKeyCTOFGGXUCWLQDT-FQEVSTJZSA-N
MW391.48 g/mol
LogP2.56
Rot. Bonds7

About (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 26641517) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID26641517
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N5O2/c1-23-22(29)25-21(28)20(19-11-7-4-8-12-19)26(2)14-18-13-24-27(16-18)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H2,23,25,28,29)/t20-/m0/s1
InChIKeyCTOFGGXUCWLQDT-FQEVSTJZSA-N
XLogP2.56
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51167401
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26650360
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 26641517) is (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is CTOFGGXUCWLQDT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-23-22(29)25-21(28)20(19-11-7-4-8-12-19)26(2)14-18-13-24-27(16-18)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H2,23,25,28,29)/t20-/m0/s1.
What are the key properties of (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 391.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 26641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).