2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide

C20H23ClN2O4 — CID 9316814

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-13-9-16(6-7-17(13)21)27-12-20(24)23-22-14(2)10-15-5-8-18(25-3)19(11-15)26-4/h5-9,11H,10,12H2,1-4H3,(H,23,24)/b22-14-
InChIKeyLPHLMECSIYLCQO-HMAPJEAMSA-N
MW390.87 g/mol
LogP3.78
Rot. Bonds8

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide (PubChem CID 9316814) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
PubChem CID9316814
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-13-9-16(6-7-17(13)21)27-12-20(24)23-22-14(2)10-15-5-8-18(25-3)19(11-15)26-4/h5-9,11H,10,12H2,1-4H3,(H,23,24)/b22-14-
InChIKeyLPHLMECSIYLCQO-HMAPJEAMSA-N
XLogP3.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.78
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

N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316065
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
ethyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]butanoate
CID 4659321
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796
(3S)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 7045094
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
CID 9461207
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide (CID 9316814) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide is COc1ccc(C/C(C)=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1OC.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide?
The InChIKey is LPHLMECSIYLCQO-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13-9-16(6-7-17(13)21)27-12-20(24)23-22-14(2)10-15-5-8-18(25-3)19(11-15)26-4/h5-9,11H,10,12H2,1-4H3,(H,23,24)/b22-14-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide is sourced from PubChem (CID 9316814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).