2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide

C30H28N2O3 — CID 69411201

IUPAC2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(=O)N(C)C)=C1C(=O)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-20-12-10-11-17-23(20)27-24(29(34)21-13-6-4-7-14-21)19-31-25(18-26(33)32(2)3)28(27)30(35)22-15-8-5-9-16-22/h4-17,19,27,31H,18H2,1-3H3
InChIKeyBUTXMMUKNSJRPG-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.06
Rot. Bonds7

About 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide

2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide (PubChem CID 69411201) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide
PubChem CID69411201
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(=O)N(C)C)=C1C(=O)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-20-12-10-11-17-23(20)27-24(29(34)21-13-6-4-7-14-21)19-31-25(18-26(33)32(2)3)28(27)30(35)22-15-8-5-9-16-22/h4-17,19,27,31H,18H2,1-3H3
InChIKeyBUTXMMUKNSJRPG-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide (CID 69411201) is 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide is Cc1ccccc1C1C(C(=O)c2ccccc2)=CNC(CC(=O)N(C)C)=C1C(=O)c1ccccc1.
What is the InChIKey of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide?
The InChIKey is BUTXMMUKNSJRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-20-12-10-11-17-23(20)27-24(29(34)21-13-6-4-7-14-21)19-31-25(18-26(33)32(2)3)28(27)30(35)22-15-8-5-9-16-22/h4-17,19,27,31H,18H2,1-3H3.
What are the key properties of 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide?
2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide has a molecular weight of 464.57 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 69411201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).