N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

C14H15N3O2 — CID 9025779

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-19-12-7-5-11(6-8-12)10-16-17-14(18)13-4-3-9-15-13/h3-10,15H,2H2,1H3,(H,17,18)/b16-10-
InChIKeyVGFCPMFMWIBWJH-YBEGLDIGSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds5

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9025779) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9025779
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-19-12-7-5-11(6-8-12)10-16-17-14(18)13-4-3-9-15-13/h3-10,15H,2H2,1H3,(H,17,18)/b16-10-
InChIKeyVGFCPMFMWIBWJH-YBEGLDIGSA-N
XLogP2.18
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 ≤ 52.18
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

N-[(Z)-(4-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026508
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026718
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
N-[(Z)-[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026444

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 9025779) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is CCOc1ccc(/C=N\NC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is VGFCPMFMWIBWJH-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-19-12-7-5-11(6-8-12)10-16-17-14(18)13-4-3-9-15-13/h3-10,15H,2H2,1H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9025779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).