2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide

C14H15N3O2 — CID 969187

IUPAC2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
SMILESCOc1ccc(CC(=O)NN=Cc2ccc[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-4-11(5-7-13)9-14(18)17-16-10-12-3-2-8-15-12/h2-8,10,15H,9H2,1H3,(H,17,18)
InChIKeySVFCTPMQFGWRDZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide

2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide (PubChem CID 969187) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
PubChem CID969187
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
SMILESCOc1ccc(CC(=O)NN=Cc2ccc[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-4-11(5-7-13)9-14(18)17-16-10-12-3-2-8-15-12/h2-8,10,15H,9H2,1H3,(H,17,18)
InChIKeySVFCTPMQFGWRDZ-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 914097
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237
2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 922208
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656
N-(1H-pyrrol-2-ylmethylideneamino)pentanamide
CID 4048770
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719
N-[(E)-1H-pyrrol-2-ylmethylideneamino]hexanamide
CID 135716593
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide (CID 969187) is 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide is COc1ccc(CC(=O)NN=Cc2ccc[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The InChIKey is SVFCTPMQFGWRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-6-4-11(5-7-13)9-14(18)17-16-10-12-3-2-8-15-12/h2-8,10,15H,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 969187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).