4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide

C26H29N3O3 — CID 54846203

IUPAC4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-18(2)32-24-11-7-10-23(16-24)29-25(30)17-27-22-14-12-21(13-15-22)26(31)28-19(3)20-8-5-4-6-9-20/h4-16,18-19,27H,17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUMUQBXCIFARAKI-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.02
Rot. Bonds9

About 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846203) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846203
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O3/c1-18(2)32-24-11-7-10-23(16-24)29-25(30)17-27-22-14-12-21(13-15-22)26(31)28-19(3)20-8-5-4-6-9-20/h4-16,18-19,27H,17H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUMUQBXCIFARAKI-UHFFFAOYSA-N
XLogP5.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825206
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846203) is 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide is CC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is UMUQBXCIFARAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(2)32-24-11-7-10-23(16-24)29-25(30)17-27-22-14-12-21(13-15-22)26(31)28-19(3)20-8-5-4-6-9-20/h4-16,18-19,27H,17H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 5.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).