2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide

C22H27ClN2O4 — CID 110525009

IUPAC2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-4-5-6-11-29-20-10-7-16(12-21(20)28-3)15-24-25-22(26)14-17-13-18(27-2)8-9-19(17)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26)/b24-15+
InChIKeyQDKRBLOKIOFFCZ-BUVRLJJBSA-N
MW418.92 g/mol
LogP4.62
Rot. Bonds11

About 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide

2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide (PubChem CID 110525009) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
PubChem CID110525009
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-4-5-6-11-29-20-10-7-16(12-21(20)28-3)15-24-25-22(26)14-17-13-18(27-2)8-9-19(17)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26)/b24-15+
InChIKeyQDKRBLOKIOFFCZ-BUVRLJJBSA-N
XLogP4.62
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 110524963
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515391
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
CID 110524973
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 6874166

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide (CID 110525009) is 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide is CCCCCOc1ccc(/C=N/NC(=O)Cc2cc(OC)ccc2Cl)cc1OC.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide?
The InChIKey is QDKRBLOKIOFFCZ-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-4-5-6-11-29-20-10-7-16(12-21(20)28-3)15-24-25-22(26)14-17-13-18(27-2)8-9-19(17)23/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,25,26)/b24-15+.
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide?
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide has a molecular weight of 418.92 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).