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

C16H22N2O2 — CID 108941074

IUPACN'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)11-4-6-12(7-5-11)17-14(19)10-15(20)18-13-8-9-13/h4-7,13H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWIKGHSYHMSVOGQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds4

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

N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide (PubChem CID 108941074) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
PubChem CID108941074
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
SMILESCC(C)(C)c1ccc(NC(=O)CC(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)11-4-6-12(7-5-11)17-14(19)10-15(20)18-13-8-9-13/h4-7,13H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWIKGHSYHMSVOGQ-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
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

2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
CID 25469168
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide (CID 108941074) is N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide is CC(C)(C)c1ccc(NC(=O)CC(=O)NC2CC2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide?
The InChIKey is WIKGHSYHMSVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)11-4-6-12(7-5-11)17-14(19)10-15(20)18-13-8-9-13/h4-7,13H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide?
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.59, 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-cyclopropylpropanediamide is sourced from PubChem (CID 108941074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).