2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide

C26H27N3O4 — CID 43000358

IUPAC2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C26H27N3O4/c1-18(19-10-4-3-5-11-19)28-26(32)20-12-6-8-14-22(20)29-24(30)16-17-27-25(31)21-13-7-9-15-23(21)33-2/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyKHJVMKXNCBAVGY-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.94
Rot. Bonds9

About 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide

2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43000358) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43000358
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C26H27N3O4/c1-18(19-10-4-3-5-11-19)28-26(32)20-12-6-8-14-22(20)29-24(30)16-17-27-25(31)21-13-7-9-15-23(21)33-2/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyKHJVMKXNCBAVGY-UHFFFAOYSA-N
XLogP3.94
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[3-(4-methoxy-3-methylphenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100595887
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
CID 4943270
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide (CID 43000358) is 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is KHJVMKXNCBAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18(19-10-4-3-5-11-19)28-26(32)20-12-6-8-14-22(20)29-24(30)16-17-27-25(31)21-13-7-9-15-23(21)33-2/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide?
2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43000358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).