N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide

C19H23N3O2 — CID 166413874

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2cccn2CC)cc1
InChIInChI=1S/C19H23N3O2/c1-5-18(23)21(4)16-11-9-15(10-12-16)19(24)20(3)14-17-8-7-13-22(17)6-2/h5,7-13H,1,6,14H2,2-4H3
InChIKeySLSIGLFPYDARGR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds6

About N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide

N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166413874) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166413874
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2cccn2CC)cc1
InChIInChI=1S/C19H23N3O2/c1-5-18(23)21(4)16-11-9-15(10-12-16)19(24)20(3)14-17-8-7-13-22(17)6-2/h5,7-13H,1,6,14H2,2-4H3
InChIKeySLSIGLFPYDARGR-UHFFFAOYSA-N
XLogP2.93
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166413874) is N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2cccn2CC)cc1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is SLSIGLFPYDARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-18(23)21(4)16-11-9-15(10-12-16)19(24)20(3)14-17-8-7-13-22(17)6-2/h5,7-13H,1,6,14H2,2-4H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166413874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).