2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide

C24H30N4O3 — CID 3463133

IUPAC2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-4-18-13-9-14-19(5-2)22(18)25-24(31)28-16-10-15-27(28)21(29)17-26(3)23(30)20-11-7-6-8-12-20/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,31)
InChIKeyUYSPDUBGFFLASV-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide

2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide (PubChem CID 3463133) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide
PubChem CID3463133
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C24H30N4O3/c1-4-18-13-9-14-19(5-2)22(18)25-24(31)28-16-10-15-27(28)21(29)17-26(3)23(30)20-11-7-6-8-12-20/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,31)
InChIKeyUYSPDUBGFFLASV-UHFFFAOYSA-N
XLogP3.56
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide?
The IUPAC name of 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide (CID 3463133) is 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide?
The canonical SMILES for 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide is CCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide?
The InChIKey is UYSPDUBGFFLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-18-13-9-14-19(5-2)22(18)25-24(31)28-16-10-15-27(28)21(29)17-26(3)23(30)20-11-7-6-8-12-20/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,31).
What are the key properties of 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide?
2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzoyl(methyl)amino]acetyl]-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3463133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).