N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide

C18H20N2O3 — CID 19165293

IUPACN-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-8-17(9-5-13)23-14(2)18(21)20-19-12-15-6-10-16(22-3)11-7-15/h4-12,14H,1-3H3,(H,20,21)
InChIKeyUQNBWYBUXYGRGG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds6

About N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide

N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide (PubChem CID 19165293) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
PubChem CID19165293
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-8-17(9-5-13)23-14(2)18(21)20-19-12-15-6-10-16(22-3)11-7-15/h4-12,14H,1-3H3,(H,20,21)
InChIKeyUQNBWYBUXYGRGG-UHFFFAOYSA-N
XLogP2.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide (CID 19165293) is N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide is COc1ccc(C=NNC(=O)C(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide?
The InChIKey is UQNBWYBUXYGRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-8-17(9-5-13)23-14(2)18(21)20-19-12-15-6-10-16(22-3)11-7-15/h4-12,14H,1-3H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide?
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 19165293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).