3-(4-tert-butylanilino)-N,N-dimethylpropanamide

C15H24N2O — CID 54879290

IUPAC3-(4-tert-butylanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h6-9,16H,10-11H2,1-5H3
InChIKeyJRLBJJTVVLWOHS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-tert-butylanilino)-N,N-dimethylpropanamide

3-(4-tert-butylanilino)-N,N-dimethylpropanamide (PubChem CID 54879290) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-N,N-dimethylpropanamide
PubChem CID54879290
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-tert-butylanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h6-9,16H,10-11H2,1-5H3
InChIKeyJRLBJJTVVLWOHS-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-tert-butylanilino)-N,N-dimethylpropanamide (CID 54879290) is 3-(4-tert-butylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-tert-butylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-tert-butylanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylanilino)-N,N-dimethylpropanamide?
The InChIKey is JRLBJJTVVLWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h6-9,16H,10-11H2,1-5H3.
What are the key properties of 3-(4-tert-butylanilino)-N,N-dimethylpropanamide?
3-(4-tert-butylanilino)-N,N-dimethylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).