N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide

C15H24N2O2 — CID 115153253

IUPACN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NCc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H24N2O2/c1-10-8-11(2)13(15(19-5)12(10)3)9-17-14(18)6-7-16-4/h8,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyMKJBLUXEWZPDKW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide

N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide (PubChem CID 115153253) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
PubChem CID115153253
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NCc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H24N2O2/c1-10-8-11(2)13(15(19-5)12(10)3)9-17-14(18)6-7-16-4/h8,16H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyMKJBLUXEWZPDKW-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
CID 116845553
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide?
The IUPAC name of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide (CID 115153253) is N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide is CNCCC(=O)NCc1c(C)cc(C)c(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide?
The InChIKey is MKJBLUXEWZPDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-8-11(2)13(15(19-5)12(10)3)9-17-14(18)6-7-16-4/h8,16H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide?
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide is sourced from PubChem (CID 115153253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).