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

C14H22N2O5 — CID 120593617

IUPAC4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H22N2O5/c1-18-9(8-15)5-14(17)16-10-6-12(20-3)13(21-4)7-11(10)19-2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyXGSNXVNLGBKSAU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.01
Rot. Bonds8

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

4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide (PubChem CID 120593617) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
PubChem CID120593617
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC(CN)OC
InChIInChI=1S/C14H22N2O5/c1-18-9(8-15)5-14(17)16-10-6-12(20-3)13(21-4)7-11(10)19-2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyXGSNXVNLGBKSAU-UHFFFAOYSA-N
XLogP1.01
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
CID 120591665
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide (CID 120593617) is 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide is COc1cc(OC)c(OC)cc1NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide?
The InChIKey is XGSNXVNLGBKSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-9(8-15)5-14(17)16-10-6-12(20-3)13(21-4)7-11(10)19-2/h6-7,9H,5,8,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide?
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide has a molecular weight of 298.34 g/mol, XLogP of 1.01, 8 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)butanamide is sourced from PubChem (CID 120593617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).