2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

C23H21N3O3 — CID 6471437

IUPAC2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-2-14-29-19-11-9-18(10-12-19)22(27)26-21-8-4-3-7-20(21)23(28)25-16-17-6-5-13-24-15-17/h2-13,15H,1,14,16H2,(H,25,28)(H,26,27)
InChIKeyOEEREEDTJVOHNS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.83
Rot. Bonds8

About 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 6471437) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID6471437
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-2-14-29-19-11-9-18(10-12-19)22(27)26-21-8-4-3-7-20(21)23(28)25-16-17-6-5-13-24-15-17/h2-13,15H,1,14,16H2,(H,25,28)(H,26,27)
InChIKeyOEEREEDTJVOHNS-UHFFFAOYSA-N
XLogP3.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 6471437) is 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OEEREEDTJVOHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-14-29-19-11-9-18(10-12-19)22(27)26-21-8-4-3-7-20(21)23(28)25-16-17-6-5-13-24-15-17/h2-13,15H,1,14,16H2,(H,25,28)(H,26,27).
What are the key properties of 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 6471437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).