N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide

C19H25N3O4 — CID 25495501

IUPACN-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCNC(=O)c2cccn2C)c1
InChIInChI=1S/C19H25N3O4/c1-22-12-4-5-16(22)19(24)21-11-10-20-18(23)9-6-14-13-15(25-2)7-8-17(14)26-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFAOOQKSUUSZSGR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.52
Rot. Bonds9

About N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide

N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 25495501) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID25495501
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCNC(=O)c2cccn2C)c1
InChIInChI=1S/C19H25N3O4/c1-22-12-4-5-16(22)19(24)21-11-10-20-18(23)9-6-14-13-15(25-2)7-8-17(14)26-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyFAOOQKSUUSZSGR-UHFFFAOYSA-N
XLogP1.52
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-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-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 46563293
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893918

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide (CID 25495501) is N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide is COc1ccc(OC)c(CCC(=O)NCCNC(=O)c2cccn2C)c1.
What is the InChIKey of N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is FAOOQKSUUSZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-22-12-4-5-16(22)19(24)21-11-10-20-18(23)9-6-14-13-15(25-2)7-8-17(14)26-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide?
N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25495501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).