5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide

C15H24N2O3 — CID 82012097

IUPAC5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
SMILESCOc1cc(C)c(NC(=O)CCC(C)CN)cc1OC
InChIInChI=1S/C15H24N2O3/c1-10(9-16)5-6-15(18)17-12-8-14(20-4)13(19-3)7-11(12)2/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyQBZWTWGMDFQUPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.33
Rot. Bonds7

About 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide

5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide (PubChem CID 82012097) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
PubChem CID82012097
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
SMILESCOc1cc(C)c(NC(=O)CCC(C)CN)cc1OC
InChIInChI=1S/C15H24N2O3/c1-10(9-16)5-6-15(18)17-12-8-14(20-4)13(19-3)7-11(12)2/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyQBZWTWGMDFQUPZ-UHFFFAOYSA-N
XLogP2.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
ethyl 4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoate
CID 28538834
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
CID 62839712
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
CID 115167626
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide (CID 82012097) is 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide is COc1cc(C)c(NC(=O)CCC(C)CN)cc1OC.
What is the InChIKey of 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide?
The InChIKey is QBZWTWGMDFQUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(9-16)5-6-15(18)17-12-8-14(20-4)13(19-3)7-11(12)2/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide?
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide has a molecular weight of 280.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82012097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).