2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide

C16H26N2O4 — CID 119690656

IUPAC2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-6-10(2)15(17)16(19)18-9-11-7-13(21-4)14(22-5)8-12(11)20-3/h7-8,10,15H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyZAGUFHJJZUQASJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.70
Rot. Bonds8

About 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide

2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide (PubChem CID 119690656) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
PubChem CID119690656
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-6-10(2)15(17)16(19)18-9-11-7-13(21-4)14(22-5)8-12(11)20-3/h7-8,10,15H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyZAGUFHJJZUQASJ-UHFFFAOYSA-N
XLogP1.70
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide (CID 119690656) is 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide is CCC(C)C(N)C(=O)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide?
The InChIKey is ZAGUFHJJZUQASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-10(2)15(17)16(19)18-9-11-7-13(21-4)14(22-5)8-12(11)20-3/h7-8,10,15H,6,9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide?
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide has a molecular weight of 310.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 119690656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).