N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide

C23H26N2O3 — CID 77090153

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
SMILESCCOc1c(CN(C)C(=O)c2ccc(-c3ccccc3)n2C)cccc1OC
InChIInChI=1S/C23H26N2O3/c1-5-28-22-18(12-9-13-21(22)27-4)16-24(2)23(26)20-15-14-19(25(20)3)17-10-7-6-8-11-17/h6-15H,5,16H2,1-4H3
InChIKeyRPCZHLVSWKQSSH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.37
Rot. Bonds7

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide

N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide (PubChem CID 77090153) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
PubChem CID77090153
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
SMILESCCOc1c(CN(C)C(=O)c2ccc(-c3ccccc3)n2C)cccc1OC
InChIInChI=1S/C23H26N2O3/c1-5-28-22-18(12-9-13-21(22)27-4)16-24(2)23(26)20-15-14-19(25(20)3)17-10-7-6-8-11-17/h6-15H,5,16H2,1-4H3
InChIKeyRPCZHLVSWKQSSH-UHFFFAOYSA-N
XLogP4.37
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 91841851
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 10476776
(2S)-2-(dimethylamino)-N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 97203312
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24677632
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
CID 18112055

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide (CID 77090153) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide is CCOc1c(CN(C)C(=O)c2ccc(-c3ccccc3)n2C)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is RPCZHLVSWKQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-28-22-18(12-9-13-21(22)27-4)16-24(2)23(26)20-15-14-19(25(20)3)17-10-7-6-8-11-17/h6-15H,5,16H2,1-4H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 77090153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).