N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide

C17H19N3O2 — CID 6900062

IUPACN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)Cc1cccn1C
InChIInChI=1S/C17H19N3O2/c1-20-12-6-9-15(20)13-17(21)19-18-11-5-8-14-7-3-4-10-16(14)22-2/h3-12H,13H2,1-2H3,(H,19,21)/b8-5+,18-11+
InChIKeyXZICTYYMFRPCHK-OKSYWBHRSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds6

About N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 6900062) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID6900062
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)Cc1cccn1C
InChIInChI=1S/C17H19N3O2/c1-20-12-6-9-15(20)13-17(21)19-18-11-5-8-14-7-3-4-10-16(14)22-2/h3-12H,13H2,1-2H3,(H,19,21)/b8-5+,18-11+
InChIKeyXZICTYYMFRPCHK-OKSYWBHRSA-N
XLogP2.39
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide (CID 6900062) is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide is COc1ccccc1/C=C/C=N/NC(=O)Cc1cccn1C.
What is the InChIKey of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is XZICTYYMFRPCHK-OKSYWBHRSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-12-6-9-15(20)13-17(21)19-18-11-5-8-14-7-3-4-10-16(14)22-2/h3-12H,13H2,1-2H3,(H,19,21)/b8-5+,18-11+.
What are the key properties of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 6900062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).