N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide

C23H31N3O2 — CID 108954726

IUPACN-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-6-26(7-2)20-14-12-19(13-15-20)25-22(28)16-21(27)24-18-10-8-17(9-11-18)23(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyVTFHCPPXOJSHBR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.80
Rot. Bonds7

About N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide

N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide (PubChem CID 108954726) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
PubChem CID108954726
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-6-26(7-2)20-14-12-19(13-15-20)25-22(28)16-21(27)24-18-10-8-17(9-11-18)23(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyVTFHCPPXOJSHBR-UHFFFAOYSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
4-tert-butyl-N,N-diethylaniline
CID 10632068
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
N-[4-(diethylamino)phenyl]-2-isocyanoacetamide
CID 108814829
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide (CID 108954726) is N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The InChIKey is VTFHCPPXOJSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-26(7-2)20-14-12-19(13-15-20)25-22(28)16-21(27)24-18-10-8-17(9-11-18)23(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide has a molecular weight of 381.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide is sourced from PubChem (CID 108954726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).