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

C20H23N3O3 — CID 108954290

IUPACN-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)17-9-4-5-10-18(17)23-20(26)12-19(25)22-16-8-6-7-15(11-16)21-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDVLTYNIZNNPTHZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.74
Rot. Bonds6

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

N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108954290) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108954290
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H23N3O3/c1-13(2)17-9-4-5-10-18(17)23-20(26)12-19(25)22-16-8-6-7-15(11-16)21-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDVLTYNIZNNPTHZ-UHFFFAOYSA-N
XLogP3.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.74
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)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 109009962
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide (CID 108954290) is N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is DVLTYNIZNNPTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)17-9-4-5-10-18(17)23-20(26)12-19(25)22-16-8-6-7-15(11-16)21-14(3)24/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.74, 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-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).