methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate

C21H23NO5 — CID 18876261

IUPACmethyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23NO5/c1-25-18-11-16(21(24)27-3)17(12-19(18)26-2)22-20(23)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,22,23)
InChIKeyRTZCYIOKZRKXMT-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.62
Rot. Bonds5

About methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate

methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate (PubChem CID 18876261) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
PubChem CID18876261
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namemethyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H23NO5/c1-25-18-11-16(21(24)27-3)17(12-19(18)26-2)22-20(23)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,22,23)
InChIKeyRTZCYIOKZRKXMT-UHFFFAOYSA-N
XLogP3.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
CID 100518071
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
methyl 4,5-dimethoxy-2-[(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]benzoate
CID 4911192
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1311513
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
methyl 4,5-dimethoxy-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 26176710
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate (CID 18876261) is methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
The InChIKey is RTZCYIOKZRKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-18-11-16(21(24)27-3)17(12-19(18)26-2)22-20(23)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,22,23).
What are the key properties of methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate?
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate has a molecular weight of 369.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate is sourced from PubChem (CID 18876261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).