(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide

C21H26ClN3O3 — CID 9069238

IUPAC(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(/C=N\Nc2ccc(C)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C21H26ClN3O3/c1-6-27-20-11-16(8-10-19(20)28-15(3)21(26)25(4)5)13-23-24-17-9-7-14(2)18(22)12-17/h7-13,15,24H,6H2,1-5H3/b23-13-/t15-/m1/s1
InChIKeyLBTLSDNLQGUZDQ-KSJDGYIASA-N
MW403.91 g/mol
LogP4.35
Rot. Bonds8

About (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide

(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 9069238) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID9069238
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(/C=N\Nc2ccc(C)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C21H26ClN3O3/c1-6-27-20-11-16(8-10-19(20)28-15(3)21(26)25(4)5)13-23-24-17-9-7-14(2)18(22)12-17/h7-13,15,24H,6H2,1-5H3/b23-13-/t15-/m1/s1
InChIKeyLBTLSDNLQGUZDQ-KSJDGYIASA-N
XLogP4.35
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
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

4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
N-[(Z)-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359495
N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 9359256
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N,N-dipropylacetamide
CID 110842509
3-chloro-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
3-chloro-N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506468
(2S)-2-[2-ethoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylpropanamide
CID 9448352
N-[(2S)-butan-2-yl]-N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126275389
3-chloro-4-methyl-N-[(E)-(3-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide (CID 9069238) is (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide is CCOc1cc(/C=N\Nc2ccc(C)c(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is LBTLSDNLQGUZDQ-KSJDGYIASA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-6-27-20-11-16(8-10-19(20)28-15(3)21(26)25(4)5)13-23-24-17-9-7-14(2)18(22)12-17/h7-13,15,24H,6H2,1-5H3/b23-13-/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
(2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 403.91 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(Z)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 9069238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).