N'-(4-tert-butylphenyl)-N-phenylpropanediamide

C19H22N2O2 — CID 108952831

IUPACN'-(4-tert-butylphenyl)-N-phenylpropanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)14-9-11-16(12-10-14)21-18(23)13-17(22)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDYOSRVOHFWNYEV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.95
Rot. Bonds4

About N'-(4-tert-butylphenyl)-N-phenylpropanediamide

N'-(4-tert-butylphenyl)-N-phenylpropanediamide (PubChem CID 108952831) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-phenylpropanediamide
PubChem CID108952831
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-(4-tert-butylphenyl)-N-phenylpropanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)14-9-11-16(12-10-14)21-18(23)13-17(22)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDYOSRVOHFWNYEV-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-phenylpropanediamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-phenylpropanediamide (CID 108952831) is N'-(4-tert-butylphenyl)-N-phenylpropanediamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-phenylpropanediamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-phenylpropanediamide is CC(C)(C)c1ccc(NC(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-phenylpropanediamide?
The InChIKey is DYOSRVOHFWNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)14-9-11-16(12-10-14)21-18(23)13-17(22)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-tert-butylphenyl)-N-phenylpropanediamide?
N'-(4-tert-butylphenyl)-N-phenylpropanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-phenylpropanediamide is sourced from PubChem (CID 108952831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).