2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide

C15H17N3O2 — CID 50853612

IUPAC2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2ccn(C)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-18-8-7-13(11-18)10-16-17-15(19)9-12-3-5-14(20-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,17,19)/b16-10+
InChIKeyRNWFPXKKDPQALG-MHWRWJLKSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide

2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50853612) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50853612
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2ccn(C)c2)cc1
InChIInChI=1S/C15H17N3O2/c1-18-8-7-13(11-18)10-16-17-15(19)9-12-3-5-14(20-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,17,19)/b16-10+
InChIKeyRNWFPXKKDPQALG-MHWRWJLKSA-N
XLogP1.73
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
2-(4-methoxyphenyl)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 969187

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide (CID 50853612) is 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide is COc1ccc(CC(=O)N/N=C/c2ccn(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is RNWFPXKKDPQALG-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-8-7-13(11-18)10-16-17-15(19)9-12-3-5-14(20-2)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,17,19)/b16-10+.
What are the key properties of 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide?
2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50853612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).