ethane;1-(4-propan-2-ylanilino)propan-2-one

C14H23NO — CID 143636599

IUPACethane;1-(4-propan-2-ylanilino)propan-2-one
SMILESCC.CC(=O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14;1-2/h4-7,9,13H,8H2,1-3H3;1-2H3
InChIKeyCKYCBPZURMGOKT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.84
Rot. Bonds4

About ethane;1-(4-propan-2-ylanilino)propan-2-one

ethane;1-(4-propan-2-ylanilino)propan-2-one (PubChem CID 143636599) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylanilino)propan-2-one.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylanilino)propan-2-one
PubChem CID143636599
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;1-(4-propan-2-ylanilino)propan-2-one
SMILESCC.CC(=O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14;1-2/h4-7,9,13H,8H2,1-3H3;1-2H3
InChIKeyCKYCBPZURMGOKT-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
ethane;1-(4-methylanilino)propan-2-one
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2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-amino-3-(4-propan-2-ylanilino)propanoic acid
CID 103233337
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
CID 59694605
CID 59694605
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylanilino)propan-2-one?
The IUPAC name of ethane;1-(4-propan-2-ylanilino)propan-2-one (CID 143636599) is ethane;1-(4-propan-2-ylanilino)propan-2-one.
What is the SMILES notation for ethane;1-(4-propan-2-ylanilino)propan-2-one?
The canonical SMILES for ethane;1-(4-propan-2-ylanilino)propan-2-one is CC.CC(=O)CNc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;1-(4-propan-2-ylanilino)propan-2-one?
The InChIKey is CKYCBPZURMGOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-9(2)11-4-6-12(7-5-11)13-8-10(3)14;1-2/h4-7,9,13H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylanilino)propan-2-one?
ethane;1-(4-propan-2-ylanilino)propan-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylanilino)propan-2-one is sourced from PubChem (CID 143636599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).