3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide

C11H15N3O3 — CID 99990373

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C11H15N3O3/c1-16-7-3-4-8(9(5-7)17-2)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyHSLFHEYLQFOIAF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide

3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide (PubChem CID 99990373) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
PubChem CID99990373
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C11H15N3O3/c1-16-7-3-4-8(9(5-7)17-2)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyHSLFHEYLQFOIAF-UHFFFAOYSA-N
XLogP0.97
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide (CID 99990373) is 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide is [H]/N=C(\N)CC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide?
The InChIKey is HSLFHEYLQFOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-7-3-4-8(9(5-7)17-2)14-11(15)6-10(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide?
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide has a molecular weight of 237.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide is sourced from PubChem (CID 99990373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).