2-(4-tert-butylanilino)-N-cyclopropylacetamide

C15H22N2O — CID 28571999

IUPAC2-(4-tert-butylanilino)-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(NCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)11-4-6-12(7-5-11)16-10-14(18)17-13-8-9-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyLBPDLZSCFPCQTO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-tert-butylanilino)-N-cyclopropylacetamide

2-(4-tert-butylanilino)-N-cyclopropylacetamide (PubChem CID 28571999) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-cyclopropylacetamide
PubChem CID28571999
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-tert-butylanilino)-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(NCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)11-4-6-12(7-5-11)16-10-14(18)17-13-8-9-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyLBPDLZSCFPCQTO-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
N-cyclopropyl-2-[4-(methylsulfamoyl)anilino]acetamide
CID 43568438
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
N-(4-tert-butylphenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzamide
CID 25469168
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-cyclopropylacetamide (CID 28571999) is 2-(4-tert-butylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-cyclopropylacetamide is CC(C)(C)c1ccc(NCC(=O)NC2CC2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-cyclopropylacetamide?
The InChIKey is LBPDLZSCFPCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)11-4-6-12(7-5-11)16-10-14(18)17-13-8-9-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-tert-butylanilino)-N-cyclopropylacetamide?
2-(4-tert-butylanilino)-N-cyclopropylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 28571999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).