3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C35H41N3O3 — CID 46904914

IUPAC3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C35H41N3O3/c1-24-30(34(41)37(5)6)21-28(33(40)38(24)23-25-17-19-29(20-18-25)35(2,3)4)22-31(39)36-32(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-20,28,32H,21-23H2,1-6H3,(H,36,39)
InChIKeyMLIUPMHIGIEBEN-UHFFFAOYSA-N
MW551.73 g/mol
LogP5.99
Rot. Bonds8

About 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904914) has the molecular formula C35H41N3O3 and a molecular weight of 551.73 g/mol. Its IUPAC name is 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904914
Molecular FormulaC35H41N3O3
Molecular Weight551.73 g/mol
Exact Mass551.31
IUPAC Name3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C35H41N3O3/c1-24-30(34(41)37(5)6)21-28(33(40)38(24)23-25-17-19-29(20-18-25)35(2,3)4)22-31(39)36-32(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-20,28,32H,21-23H2,1-6H3,(H,36,39)
InChIKeyMLIUPMHIGIEBEN-UHFFFAOYSA-N
XLogP5.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904914) is 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is MLIUPMHIGIEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O3/c1-24-30(34(41)37(5)6)21-28(33(40)38(24)23-25-17-19-29(20-18-25)35(2,3)4)22-31(39)36-32(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-20,28,32H,21-23H2,1-6H3,(H,36,39).
What are the key properties of 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 551.73 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).