3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide

C15H22N2O4 — CID 6008336

IUPAC3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(/C=N\NC(=O)CC(C)C)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-10(2)8-13(18)17-16-9-11-6-7-12(19-3)15(21-5)14(11)20-4/h6-7,9-10H,8H2,1-5H3,(H,17,18)/b16-9-
InChIKeyBOYGDPGXRZYQJC-SXGWCWSVSA-N
MW294.35 g/mol
LogP2.21
Rot. Bonds7

About 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide

3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide (PubChem CID 6008336) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
PubChem CID6008336
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(/C=N\NC(=O)CC(C)C)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-10(2)8-13(18)17-16-9-11-6-7-12(19-3)15(21-5)14(11)20-4/h6-7,9-10H,8H2,1-5H3,(H,17,18)/b16-9-
InChIKeyBOYGDPGXRZYQJC-SXGWCWSVSA-N
XLogP2.21
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
CID 4181503
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464
6-[(dodecanoylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
CID 4639552
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 4574084
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92513080
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
CID 847605
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
CID 5431291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide (CID 6008336) is 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide is COc1ccc(/C=N\NC(=O)CC(C)C)c(OC)c1OC.
What is the InChIKey of 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide?
The InChIKey is BOYGDPGXRZYQJC-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)8-13(18)17-16-9-11-6-7-12(19-3)15(21-5)14(11)20-4/h6-7,9-10H,8H2,1-5H3,(H,17,18)/b16-9-.
What are the key properties of 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide?
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide has a molecular weight of 294.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 6008336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).