N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

C22H28N4O4 — CID 162658725

IUPACN-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCCOc1ccccc1CN(CC(=O)NC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H28N4O4/c1-3-30-19-9-5-4-8-16(19)14-26(15-20(27)23-2)21(28)17-12-18(24-13-17)22(29)25-10-6-7-11-25/h4-5,8-9,12-13,24H,3,6-7,10-11,14-15H2,1-2H3,(H,23,27)
InChIKeyIFAMPDAQBQWQNV-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.04
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (PubChem CID 162658725) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
PubChem CID162658725
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCCOc1ccccc1CN(CC(=O)NC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H28N4O4/c1-3-30-19-9-5-4-8-16(19)14-26(15-20(27)23-2)21(28)17-12-18(24-13-17)22(29)25-10-6-7-11-25/h4-5,8-9,12-13,24H,3,6-7,10-11,14-15H2,1-2H3,(H,23,27)
InChIKeyIFAMPDAQBQWQNV-UHFFFAOYSA-N
XLogP2.04
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (CID 162658725) is N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is CCOc1ccccc1CN(CC(=O)NC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The InChIKey is IFAMPDAQBQWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-30-19-9-5-4-8-16(19)14-26(15-20(27)23-2)21(28)17-12-18(24-13-17)22(29)25-10-6-7-11-25/h4-5,8-9,12-13,24H,3,6-7,10-11,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 162658725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).