N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

C29H26N2O4 — CID 4252954

IUPACN-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c1-21(28(32)31-24-14-18-27(19-15-24)35-25-10-6-3-7-11-25)34-26-16-12-23(13-17-26)29(33)30-20-22-8-4-2-5-9-22/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)
InChIKeyAPRVZGSJEQYKNS-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.81
Rot. Bonds9

About N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (PubChem CID 4252954) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
PubChem CID4252954
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H26N2O4/c1-21(28(32)31-24-14-18-27(19-15-24)35-25-10-6-3-7-11-25)34-26-16-12-23(13-17-26)29(33)30-20-22-8-4-2-5-9-22/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)
InChIKeyAPRVZGSJEQYKNS-UHFFFAOYSA-N
XLogP5.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4101668
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (CID 4252954) is N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is CC(Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The InChIKey is APRVZGSJEQYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-21(28(32)31-24-14-18-27(19-15-24)35-25-10-6-3-7-11-25)34-26-16-12-23(13-17-26)29(33)30-20-22-8-4-2-5-9-22/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide has a molecular weight of 466.54 g/mol, XLogP of 5.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is sourced from PubChem (CID 4252954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).