3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide

C26H25N3O3 — CID 70279878

IUPAC3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(CC#N)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3/c1-32-22-14-12-19(13-15-22)18-28-25(30)23(16-17-27)29-26(31)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyWOLQZFQAIANVBX-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.54
Rot. Bonds9

About 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide

3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 70279878) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID70279878
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(CC#N)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O3/c1-32-22-14-12-19(13-15-22)18-28-25(30)23(16-17-27)29-26(31)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyWOLQZFQAIANVBX-UHFFFAOYSA-N
XLogP3.54
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-3-[4-(methyliminomethylamino)phenyl]propanamide
CID 70280287
benzyl N-[4-[(2,2-diphenylacetyl)amino]-5-[(4-methoxyphenyl)methylamino]-5-oxopentyl]carbamate
CID 70278550
(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 70279878) is 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(CC#N)NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is WOLQZFQAIANVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-32-22-14-12-19(13-15-22)18-28-25(30)23(16-17-27)29-26(31)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-24H,16,18H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 427.50 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[(2,2-diphenylacetyl)amino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 70279878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).