2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide

C19H22N2O2 — CID 18096583

IUPAC2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C19H22N2O2/c1-13(2)17-9-4-5-10-18(17)21-19(23)12-20-16-8-6-7-15(11-16)14(3)22/h4-11,13,20H,12H2,1-3H3,(H,21,23)
InChIKeyVTDUDXIXIJIBPZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.06
Rot. Bonds6

About 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide

2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 18096583) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID18096583
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C19H22N2O2/c1-13(2)17-9-4-5-10-18(17)21-19(23)12-20-16-8-6-7-15(11-16)14(3)22/h4-11,13,20H,12H2,1-3H3,(H,21,23)
InChIKeyVTDUDXIXIJIBPZ-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 54829653
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
1-N-(3-acetylphenyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981990
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
CID 54823206

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide (CID 18096583) is 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide is CC(=O)c1cccc(NCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is VTDUDXIXIJIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)17-9-4-5-10-18(17)21-19(23)12-20-16-8-6-7-15(11-16)14(3)22/h4-11,13,20H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide?
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 18096583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).