N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide

C21H25N3O3 — CID 108954654

IUPACN-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-14(25)22-15-8-7-9-16(12-15)23-19(26)13-20(27)24-18-11-6-5-10-17(18)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyJTBUKGZCEZAVFB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.91
Rot. Bonds5

About N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide

N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide (PubChem CID 108954654) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
PubChem CID108954654
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H25N3O3/c1-14(25)22-15-8-7-9-16(12-15)23-19(26)13-20(27)24-18-11-6-5-10-17(18)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyJTBUKGZCEZAVFB-UHFFFAOYSA-N
XLogP3.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.91
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-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108954645
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide (CID 108954654) is N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The InChIKey is JTBUKGZCEZAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(25)22-15-8-7-9-16(12-15)23-19(26)13-20(27)24-18-11-6-5-10-17(18)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide?
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.91, 5 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-tert-butylphenyl)propanediamide is sourced from PubChem (CID 108954654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).