4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide

C30H29N3O3 — CID 54846404

IUPAC4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(24-10-6-3-7-11-24)32-30(35)25-12-14-26(15-13-25)31-20-29(34)33-27-16-18-28(19-17-27)36-21-23-8-4-2-5-9-23/h2-19,22,31H,20-21H2,1H3,(H,32,35)(H,33,34)
InChIKeyKDDAIOKBGQSEHD-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.81
Rot. Bonds10

About 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846404) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846404
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(24-10-6-3-7-11-24)32-30(35)25-12-14-26(15-13-25)31-20-29(34)33-27-16-18-28(19-17-27)36-21-23-8-4-2-5-9-23/h2-19,22,31H,20-21H2,1H3,(H,32,35)(H,33,34)
InChIKeyKDDAIOKBGQSEHD-UHFFFAOYSA-N
XLogP5.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846404) is 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is KDDAIOKBGQSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-22(24-10-6-3-7-11-24)32-30(35)25-12-14-26(15-13-25)31-20-29(34)33-27-16-18-28(19-17-27)36-21-23-8-4-2-5-9-23/h2-19,22,31H,20-21H2,1H3,(H,32,35)(H,33,34).
What are the key properties of 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.81, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).