N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide

C14H21NO4 — CID 115162936

IUPACN-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCOc1cc(C)c(N(C)C(=O)CCCO)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10-8-11(18-3)9-12(19-4)14(10)15(2)13(17)6-5-7-16/h8-9,16H,5-7H2,1-4H3
InChIKeyVFPNTLRHLZNHID-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.75
Rot. Bonds6

About N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide

N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115162936) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
PubChem CID115162936
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCOc1cc(C)c(N(C)C(=O)CCCO)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10-8-11(18-3)9-12(19-4)14(10)15(2)13(17)6-5-7-16/h8-9,16H,5-7H2,1-4H3
InChIKeyVFPNTLRHLZNHID-UHFFFAOYSA-N
XLogP1.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide (CID 115162936) is N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide is COc1cc(C)c(N(C)C(=O)CCCO)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is VFPNTLRHLZNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-8-11(18-3)9-12(19-4)14(10)15(2)13(17)6-5-7-16/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide?
N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 267.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115162936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).