N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide

C15H21NO4 — CID 71443665

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
SMILESCOc1ccc(CNC(=O)CCCC(C)=O)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-11(17)5-4-6-15(18)16-10-12-7-8-13(19-2)9-14(12)20-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyIJGLNXALBVLBJA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.08
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide

N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide (PubChem CID 71443665) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
PubChem CID71443665
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
SMILESCOc1ccc(CNC(=O)CCCC(C)=O)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-11(17)5-4-6-15(18)16-10-12-7-8-13(19-2)9-14(12)20-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyIJGLNXALBVLBJA-UHFFFAOYSA-N
XLogP2.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide (CID 71443665) is N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide is COc1ccc(CNC(=O)CCCC(C)=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide?
The InChIKey is IJGLNXALBVLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(17)5-4-6-15(18)16-10-12-7-8-13(19-2)9-14(12)20-3/h7-9H,4-6,10H2,1-3H3,(H,16,18).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide has a molecular weight of 279.34 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide is sourced from PubChem (CID 71443665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).