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

C15H24N2O5 — CID 120587250

IUPAC4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC(CN)OC
InChIInChI=1S/C15H24N2O5/c1-19-11(8-16)6-15(18)17-9-10-5-13(21-3)14(22-4)7-12(10)20-2/h5,7,11H,6,8-9,16H2,1-4H3,(H,17,18)
InChIKeyNYFIDQISTNAONH-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.69
Rot. Bonds9

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

4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 120587250) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID120587250
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC(CN)OC
InChIInChI=1S/C15H24N2O5/c1-19-11(8-16)6-15(18)17-9-10-5-13(21-3)14(22-4)7-12(10)20-2/h5,7,11H,6,8-9,16H2,1-4H3,(H,17,18)
InChIKeyNYFIDQISTNAONH-UHFFFAOYSA-N
XLogP0.69
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120594092
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (CID 120587250) is 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide is COc1cc(OC)c(OC)cc1CNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is NYFIDQISTNAONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-19-11(8-16)6-15(18)17-9-10-5-13(21-3)14(22-4)7-12(10)20-2/h5,7,11H,6,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide?
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 312.37 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 120587250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).