2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride

C15H25ClN2O4 — CID 119271866

IUPAC2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-9(2)14(16)15(18)17-8-10-6-12(20-4)13(21-5)7-11(10)19-3;/h6-7,9,14H,8,16H2,1-5H3,(H,17,18);1H
InChIKeyFJHHLLWOFMQCPW-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.73
Rot. Bonds7

About 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride

2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119271866) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119271866
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(N)C(C)C.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-9(2)14(16)15(18)17-8-10-6-12(20-4)13(21-5)7-11(10)19-3;/h6-7,9,14H,8,16H2,1-5H3,(H,17,18);1H
InChIKeyFJHHLLWOFMQCPW-UHFFFAOYSA-N
XLogP1.73
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride (CID 119271866) is 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)C(N)C(C)C.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is FJHHLLWOFMQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-9(2)14(16)15(18)17-8-10-6-12(20-4)13(21-5)7-11(10)19-3;/h6-7,9,14H,8,16H2,1-5H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride?
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.73, 7 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]butanamide;hydrochloride is sourced from PubChem (CID 119271866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).