N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide

C16H22N2O2 — CID 108941269

IUPACN'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-10-17-14(19)11-15(20)18-13-8-6-12(7-9-13)16(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyHLUHPNFRHQWWDB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds5

About N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide

N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide (PubChem CID 108941269) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
PubChem CID108941269
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-10-17-14(19)11-15(20)18-13-8-6-12(7-9-13)16(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyHLUHPNFRHQWWDB-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944
N'-(4-bromo-3-methylphenyl)-N-prop-2-enylpropanediamide
CID 108941323
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide (CID 108941269) is N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide?
The InChIKey is HLUHPNFRHQWWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-10-17-14(19)11-15(20)18-13-8-6-12(7-9-13)16(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide?
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.61, 5 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-prop-2-enylpropanediamide is sourced from PubChem (CID 108941269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).