N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide

C22H27N3O5 — CID 3901959

IUPACN-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
SMILESCCCOc1c(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C22H27N3O5/c1-5-13-30-20-16(7-6-8-19(20)29-4)14-23-25-22(27)15(2)21(26)24-17-9-11-18(28-3)12-10-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyGECJDMGFMJEPGL-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.22
Rot. Bonds10

About N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide

N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide (PubChem CID 3901959) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
PubChem CID3901959
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
SMILESCCCOc1c(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C22H27N3O5/c1-5-13-30-20-16(7-6-8-19(20)29-4)14-23-25-22(27)15(2)21(26)24-17-9-11-18(28-3)12-10-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyGECJDMGFMJEPGL-UHFFFAOYSA-N
XLogP3.22
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3924972
1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
CID 19169367
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110524998
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3393600
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide (CID 3901959) is N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide is CCCOc1c(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cccc1OC.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide?
The InChIKey is GECJDMGFMJEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-13-30-20-16(7-6-8-19(20)29-4)14-23-25-22(27)15(2)21(26)24-17-9-11-18(28-3)12-10-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide?
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide has a molecular weight of 413.47 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide is sourced from PubChem (CID 3901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).