N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide

C22H21N3O3 — CID 5244598

IUPACN-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3/c1-15(21(26)24-18-10-12-19(28-2)13-11-18)22(27)25-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUITFASFHOFRRPM-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.57
Rot. Bonds6

About N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide

N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide (PubChem CID 5244598) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
PubChem CID5244598
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O3/c1-15(21(26)24-18-10-12-19(28-2)13-11-18)22(27)25-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUITFASFHOFRRPM-UHFFFAOYSA-N
XLogP3.57
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3924972
2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3393600
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4043475

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide (CID 5244598) is N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide is COc1ccc(NC(=O)C(C)C(=O)NN=Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The InChIKey is UITFASFHOFRRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(21(26)24-18-10-12-19(28-2)13-11-18)22(27)25-23-14-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide has a molecular weight of 375.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide is sourced from PubChem (CID 5244598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).