2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide

C16H26N2O3 — CID 43750741

IUPAC2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-11(2)8-14(16(19)17-3)18-10-12-9-13(20-4)6-7-15(12)21-5/h6-7,9,11,14,18H,8,10H2,1-5H3,(H,17,19)
InChIKeyCUYSQTGDYKWVGU-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide

2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide (PubChem CID 43750741) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
PubChem CID43750741
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-11(2)8-14(16(19)17-3)18-10-12-9-13(20-4)6-7-15(12)21-5/h6-7,9,11,14,18H,8,10H2,1-5H3,(H,17,19)
InChIKeyCUYSQTGDYKWVGU-UHFFFAOYSA-N
XLogP1.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 103827953
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46541023
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
CID 43750662

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide (CID 43750741) is 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is CUYSQTGDYKWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)8-14(16(19)17-3)18-10-12-9-13(20-4)6-7-15(12)21-5/h6-7,9,11,14,18H,8,10H2,1-5H3,(H,17,19).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide?
2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 294.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43750741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).