2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide

C25H25N3O4 — CID 4285450

IUPAC2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17(24(30)28-21-14-12-20(13-15-21)27-18(2)29)32-23-11-7-6-10-22(23)25(31)26-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyPDEJTUOQCLBXHK-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.98
Rot. Bonds8

About 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide

2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide (PubChem CID 4285450) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide.

Molecular Properties

Compound Name2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
PubChem CID4285450
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17(24(30)28-21-14-12-20(13-15-21)27-18(2)29)32-23-11-7-6-10-22(23)25(31)26-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyPDEJTUOQCLBXHK-UHFFFAOYSA-N
XLogP3.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 40790480
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 17430137
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The IUPAC name of 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide (CID 4285450) is 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide.
What is the SMILES notation for 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The canonical SMILES for 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide is CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The InChIKey is PDEJTUOQCLBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17(24(30)28-21-14-12-20(13-15-21)27-18(2)29)32-23-11-7-6-10-22(23)25(31)26-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide has a molecular weight of 431.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide is sourced from PubChem (CID 4285450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).