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

C20H25N3O2 — CID 54846054

IUPAC4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)22-19(24)13-21-18-11-9-17(10-12-18)20(25)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLAIKBHXVRFDWKH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.11
Rot. Bonds7

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

4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846054) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846054
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(C)NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)22-19(24)13-21-18-11-9-17(10-12-18)20(25)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLAIKBHXVRFDWKH-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846054) is 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide is CC(C)NC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LAIKBHXVRFDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)22-19(24)13-21-18-11-9-17(10-12-18)20(25)23-15(3)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).