N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide

C22H29N3O2 — CID 109009962

IUPACN-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)23-13-21(27)25-18-9-6-8-17(12-18)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyBMVGDKZWOQHKAS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.94
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide

N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide (PubChem CID 109009962) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
PubChem CID109009962
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)23-13-21(27)25-18-9-6-8-17(12-18)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyBMVGDKZWOQHKAS-UHFFFAOYSA-N
XLogP4.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 71986887
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide (CID 109009962) is N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide is CC(=O)Nc1cccc(NC(=O)CNc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide?
The InChIKey is BMVGDKZWOQHKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)23-13-21(27)25-18-9-6-8-17(12-18)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide?
N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide is sourced from PubChem (CID 109009962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).