4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide

C15H24N2O2 — CID 115156719

IUPAC4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CCC(C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-11(2)13(14(8-10)19-4)9-17-15(18)6-5-12(3)16/h7-8,12H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyLLQOIHICROVDAA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds6

About 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide

4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide (PubChem CID 115156719) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
PubChem CID115156719
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CCC(C)N
InChIInChI=1S/C15H24N2O2/c1-10-7-11(2)13(14(8-10)19-4)9-17-15(18)6-5-12(3)16/h7-8,12H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyLLQOIHICROVDAA-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115154214
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]pentanamide
CID 120563702
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide (CID 115156719) is 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide is COc1cc(C)cc(C)c1CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide?
The InChIKey is LLQOIHICROVDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-11(2)13(14(8-10)19-4)9-17-15(18)6-5-12(3)16/h7-8,12H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide?
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide is sourced from PubChem (CID 115156719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).