methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate

C26H33ClN2O4 — CID 10838212

IUPACmethyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1OC
InChIInChI=1S/C26H33ClN2O4/c1-32-24-17-19(9-11-21(24)26(31)33-2)13-14-28-25(30)22-18-20(27)10-12-23(22)29-15-7-5-3-4-6-8-16-29/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,28,30)
InChIKeyIJPLNKSFUIUTPA-UHFFFAOYSA-N
MW473.01 g/mol
LogP5.27
Rot. Bonds7

About methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate

methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate (PubChem CID 10838212) has the molecular formula C26H33ClN2O4 and a molecular weight of 473.01 g/mol. Its IUPAC name is methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
PubChem CID10838212
Molecular FormulaC26H33ClN2O4
Molecular Weight473.01 g/mol
Exact Mass472.21
IUPAC Namemethyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1OC
InChIInChI=1S/C26H33ClN2O4/c1-32-24-17-19(9-11-21(24)26(31)33-2)13-14-28-25(30)22-18-20(27)10-12-23(22)29-15-7-5-3-4-6-8-16-29/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,28,30)
InChIKeyIJPLNKSFUIUTPA-UHFFFAOYSA-N
XLogP5.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.01
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate with MolForge

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Related Compounds

2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
4-[2-[[5-chloro-2-(4-methoxypiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535625
methyl 4-[2-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]benzoyl]amino]ethyl]benzoate
CID 10670234
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-(sulfinatoamino)phenyl]morpholine
CID 56996988
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755759
4-[2-[[5-chloro-2-(4-ethoxycarbonylpiperazin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535745
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate (CID 10838212) is methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate is COC(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)cc1OC.
What is the InChIKey of methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate?
The InChIKey is IJPLNKSFUIUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O4/c1-32-24-17-19(9-11-21(24)26(31)33-2)13-14-28-25(30)22-18-20(27)10-12-23(22)29-15-7-5-3-4-6-8-16-29/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,28,30).
What are the key properties of methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate?
methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate has a molecular weight of 473.01 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate is sourced from PubChem (CID 10838212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).