N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C21H25N3O3 — CID 108954586

IUPACN-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-13(2)18-10-5-7-14(3)21(18)24-20(27)12-19(26)23-17-9-6-8-16(11-17)22-15(4)25/h5-11,13H,12H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQEMRXVKTSNDCES-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.04
Rot. Bonds6

About N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108954586) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108954586
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-13(2)18-10-5-7-14(3)21(18)24-20(27)12-19(26)23-17-9-6-8-16(11-17)22-15(4)25/h5-11,13H,12H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyQEMRXVKTSNDCES-UHFFFAOYSA-N
XLogP4.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 109009962
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-(4-cyanophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954616
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(3-fluorophenyl)-2-[4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433537
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108954586) is N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is QEMRXVKTSNDCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13(2)18-10-5-7-14(3)21(18)24-20(27)12-19(26)23-17-9-6-8-16(11-17)22-15(4)25/h5-11,13H,12H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 367.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).