N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide

C28H30N4O — CID 17413370

IUPACN-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H30N4O/c1-21-26(22(2)32(30-21)25-15-8-5-9-16-25)19-31(3)20-28(33)29-27-17-11-10-14-24(27)18-23-12-6-4-7-13-23/h4-17H,18-20H2,1-3H3,(H,29,33)
InChIKeyBFTHXTYAKONWHP-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.15
Rot. Bonds8

About N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide

N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 17413370) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID17413370
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H30N4O/c1-21-26(22(2)32(30-21)25-15-8-5-9-16-25)19-31(3)20-28(33)29-27-17-11-10-14-24(27)18-23-12-6-4-7-13-23/h4-17H,18-20H2,1-3H3,(H,29,33)
InChIKeyBFTHXTYAKONWHP-UHFFFAOYSA-N
XLogP5.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436860
ethyl 2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzoate
CID 9436792
N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436790
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9436864
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
N-(2-benzylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880689
N-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436848
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78826535
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39973520
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide (CID 17413370) is N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is BFTHXTYAKONWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-21-26(22(2)32(30-21)25-15-8-5-9-16-25)19-31(3)20-28(33)29-27-17-11-10-14-24(27)18-23-12-6-4-7-13-23/h4-17H,18-20H2,1-3H3,(H,29,33).
What are the key properties of N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 438.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 17413370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).