4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide

C24H26N2O2 — CID 3960891

IUPAC4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C)c1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O2/c1-4-14-26(24(27)21-10-12-23(28-3)13-11-21)18-22-9-6-15-25(22)17-20-8-5-7-19(2)16-20/h4-13,15-16H,1,14,17-18H2,2-3H3
InChIKeyUAJVICVDEKJKLK-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.68
Rot. Bonds8

About 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide

4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide (PubChem CID 3960891) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
PubChem CID3960891
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C)c1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O2/c1-4-14-26(24(27)21-10-12-23(28-3)13-11-21)18-22-9-6-15-25(22)17-20-8-5-7-19(2)16-20/h4-13,15-16H,1,14,17-18H2,2-3H3
InChIKeyUAJVICVDEKJKLK-UHFFFAOYSA-N
XLogP4.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylnaphthalene-2-carboxamide
CID 5236102
4-bromo-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3566076
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide
CID 42663050
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methoxy-N-prop-2-enylbenzamide
CID 3641435
2-chloro-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylpropanamide
CID 3532882
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
3,5-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5110033
ethyl 2-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]acetate
CID 5041533
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810182
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-(4-methoxyphenyl)-N-prop-2-enylacetamide
CID 3899673
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenoxy-N-prop-2-enylacetamide
CID 4317617
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide (CID 3960891) is 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1cccn1Cc1cccc(C)c1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide?
The InChIKey is UAJVICVDEKJKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-14-26(24(27)21-10-12-23(28-3)13-11-21)18-22-9-6-15-25(22)17-20-8-5-7-19(2)16-20/h4-13,15-16H,1,14,17-18H2,2-3H3.
What are the key properties of 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide?
4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide has a molecular weight of 374.48 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 3960891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).