N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C16H19N3O3 — CID 9026718

IUPACN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCOc1cc(/C=N\NC(=O)c2ccc[nH]2)ccc1OC
InChIInChI=1S/C16H19N3O3/c1-3-9-22-15-10-12(6-7-14(15)21-2)11-18-19-16(20)13-5-4-8-17-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,19,20)/b18-11-
InChIKeyNMEBFQOQZFPYEW-WQRHYEAKSA-N
MW301.35 g/mol
LogP2.58
Rot. Bonds7

About N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026718) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026718
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCCOc1cc(/C=N\NC(=O)c2ccc[nH]2)ccc1OC
InChIInChI=1S/C16H19N3O3/c1-3-9-22-15-10-12(6-7-14(15)21-2)11-18-19-16(20)13-5-4-8-17-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,19,20)/b18-11-
InChIKeyNMEBFQOQZFPYEW-WQRHYEAKSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-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-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026508
methyl 4-[[2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 9025984
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025779
4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982923
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]acetamide
CID 110515651
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]oxamide
CID 9352957
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 9026718) is N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is CCCOc1cc(/C=N\NC(=O)c2ccc[nH]2)ccc1OC.
What is the InChIKey of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is NMEBFQOQZFPYEW-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-9-22-15-10-12(6-7-14(15)21-2)11-18-19-16(20)13-5-4-8-17-13/h4-8,10-11,17H,3,9H2,1-2H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).