2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C22H29N3O2 — CID 109009934

IUPAC2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25-21(27)13-23-17-8-6-9-18(12-17)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyALUVZGFOFMRHAP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.94
Rot. Bonds7

About 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 109009934) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID109009934
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25-21(27)13-23-17-8-6-9-18(12-17)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyALUVZGFOFMRHAP-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

Analyze 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 109009962
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 109009934) is 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is ALUVZGFOFMRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25-21(27)13-23-17-8-6-9-18(12-17)24-16(5)26/h6-12,14-15,23H,13H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]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 2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 109009934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).