2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide

C16H24N2O2 — CID 113169744

IUPAC2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-5-10-17-16(20)11-18(13(4)19)15-8-6-14(7-9-15)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyDNLPGBIJXCDWIZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds6

About 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide

2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide (PubChem CID 113169744) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
PubChem CID113169744
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-5-10-17-16(20)11-18(13(4)19)15-8-6-14(7-9-15)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyDNLPGBIJXCDWIZ-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-4-propan-2-ylanilino)-N-(2-methylphenyl)acetamide
CID 113169828
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide?
The IUPAC name of 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide (CID 113169744) is 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide?
The canonical SMILES for 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide is CCCNC(=O)CN(C(C)=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide?
The InChIKey is DNLPGBIJXCDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-10-17-16(20)11-18(13(4)19)15-8-6-14(7-9-15)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide?
2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide is sourced from PubChem (CID 113169744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).