5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one

C16H25NO2 — CID 115236206

IUPAC5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
SMILESCOc1cc(C)c(NCCCC(C)=O)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14-10-15(12(3)9-16(14)19-5)17-8-6-7-13(4)18/h9-11,17H,6-8H2,1-5H3
InChIKeyVZZDDVPBPNYBOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.91
Rot. Bonds7

About 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one

5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one (PubChem CID 115236206) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one.

Molecular Properties

Compound Name5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
PubChem CID115236206
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
SMILESCOc1cc(C)c(NCCCC(C)=O)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)14-10-15(12(3)9-16(14)19-5)17-8-6-7-13(4)18/h9-11,17H,6-8H2,1-5H3
InChIKeyVZZDDVPBPNYBOW-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 98784035
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
CID 115167626
5-(5-chloro-2-methoxy-3-methylanilino)pentan-2-one
CID 115236229
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115251203

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one?
The IUPAC name of 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one (CID 115236206) is 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one.
What is the SMILES notation for 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one?
The canonical SMILES for 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one is COc1cc(C)c(NCCCC(C)=O)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one?
The InChIKey is VZZDDVPBPNYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14-10-15(12(3)9-16(14)19-5)17-8-6-7-13(4)18/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one?
5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one is sourced from PubChem (CID 115236206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).