4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide

C21H25ClN2O3 — CID 4648642

IUPAC4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide
SMILESCCC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H25ClN2O3/c1-4-19(16-7-10-18(26-3)11-8-16)23-24-21(25)6-5-13-27-20-12-9-17(22)14-15(20)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,25)
InChIKeyUBYIXOOQVZRGOH-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.75
Rot. Bonds9

About 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide

4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide (PubChem CID 4648642) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide
PubChem CID4648642
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide
SMILESCCC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H25ClN2O3/c1-4-19(16-7-10-18(26-3)11-8-16)23-24-21(25)6-5-13-27-20-12-9-17(22)14-15(20)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,25)
InChIKeyUBYIXOOQVZRGOH-UHFFFAOYSA-N
XLogP4.75
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6015814
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide (CID 4648642) is 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide is CCC(=NNC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(OC)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide?
The InChIKey is UBYIXOOQVZRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-4-19(16-7-10-18(26-3)11-8-16)23-24-21(25)6-5-13-27-20-12-9-17(22)14-15(20)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,25).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide has a molecular weight of 388.90 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide is sourced from PubChem (CID 4648642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).