N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide

C15H24N2O2 — CID 115188857

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1cc(C)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-12(9-16-3)15(18)17-10-13-8-11(2)6-7-14(13)19-4/h6-8,12,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyVXWKEPMWZYQDBF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds7

About N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide

N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide (PubChem CID 115188857) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
PubChem CID115188857
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1cc(C)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-12(9-16-3)15(18)17-10-13-8-11(2)6-7-14(13)19-4/h6-8,12,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyVXWKEPMWZYQDBF-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808697
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide (CID 115188857) is N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)NCc1cc(C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide?
The InChIKey is VXWKEPMWZYQDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-12(9-16-3)15(18)17-10-13-8-11(2)6-7-14(13)19-4/h6-8,12,16H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide?
N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).