2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide

C18H21N3O3 — CID 5212708

IUPAC2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1C=NNC(=O)C(C)Nc1ccccc1OC
InChIInChI=1S/C18H21N3O3/c1-13(20-15-9-5-7-11-17(15)24-3)18(22)21-19-12-14-8-4-6-10-16(14)23-2/h4-13,20H,1-3H3,(H,21,22)
InChIKeyZDAWCFDEYHKUHU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds7

About 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide

2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide (PubChem CID 5212708) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
PubChem CID5212708
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1C=NNC(=O)C(C)Nc1ccccc1OC
InChIInChI=1S/C18H21N3O3/c1-13(20-15-9-5-7-11-17(15)24-3)18(22)21-19-12-14-8-4-6-10-16(14)23-2/h4-13,20H,1-3H3,(H,21,22)
InChIKeyZDAWCFDEYHKUHU-UHFFFAOYSA-N
XLogP2.65
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
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

2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
CID 40507856
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 165344462

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide (CID 5212708) is 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide is COc1ccccc1C=NNC(=O)C(C)Nc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is ZDAWCFDEYHKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(20-15-9-5-7-11-17(15)24-3)18(22)21-19-12-14-8-4-6-10-16(14)23-2/h4-13,20H,1-3H3,(H,21,22).
What are the key properties of 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide?
2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 5212708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).