N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide

C16H25NO3 — CID 110783154

IUPACN-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H25NO3/c1-11-7-14(20-6)12(8-13(11)19-5)10-17-15(18)9-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18)
InChIKeyWXCDVBIDYOUQQV-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.06
Rot. Bonds5

About N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide

N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 110783154) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide
PubChem CID110783154
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H25NO3/c1-11-7-14(20-6)12(8-13(11)19-5)10-17-15(18)9-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18)
InChIKeyWXCDVBIDYOUQQV-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
2-cyano-N-[(2,5-dimethoxy-4-methylphenyl)methyl]acetamide
CID 115173100
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide (CID 110783154) is N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide is COc1cc(CNC(=O)CC(C)(C)C)c(OC)cc1C.
What is the InChIKey of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is WXCDVBIDYOUQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-7-14(20-6)12(8-13(11)19-5)10-17-15(18)9-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18).
What are the key properties of N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide?
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110783154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).