4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide

C20H23N3O4 — CID 121062271

IUPAC4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-18(24)21-12-13-22-19(25)14-4-8-16(9-5-14)23-20(26)15-6-10-17(27-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYUDNYHDZMYXYCO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.20
Rot. Bonds8

About 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide

4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062271) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062271
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-18(24)21-12-13-22-19(25)14-4-8-16(9-5-14)23-20(26)15-6-10-17(27-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyYUDNYHDZMYXYCO-UHFFFAOYSA-N
XLogP2.20
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
CID 42139578
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide (CID 121062271) is 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is YUDNYHDZMYXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-18(24)21-12-13-22-19(25)14-4-8-16(9-5-14)23-20(26)15-6-10-17(27-2)11-7-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).