3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid

C19H19NO5 — CID 120686720

IUPAC3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2cccc3c2CCC3)c1OC
InChIInChI=1S/C19H19NO5/c1-24-16-10-12(19(22)23)9-15(17(16)25-2)20-18(21)14-8-4-6-11-5-3-7-13(11)14/h4,6,8-10H,3,5,7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLIZZTRVZVPSVMS-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.14
Rot. Bonds5

About 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid

3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid (PubChem CID 120686720) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid
PubChem CID120686720
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)c2cccc3c2CCC3)c1OC
InChIInChI=1S/C19H19NO5/c1-24-16-10-12(19(22)23)9-15(17(16)25-2)20-18(21)14-8-4-6-11-5-3-7-13(11)14/h4,6,8-10H,3,5,7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLIZZTRVZVPSVMS-UHFFFAOYSA-N
XLogP3.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
N-(2-acetamido-5-methylphenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 126795816
11-methoxy-7,8,9,10-tetrahydro-5H-benzo[b]carbazole-1-carboxylic acid
CID 22252937
3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
CID 119214277
N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455792
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455745
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid (CID 120686720) is 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(NC(=O)c2cccc3c2CCC3)c1OC.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid?
The InChIKey is LIZZTRVZVPSVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-16-10-12(19(22)23)9-15(17(16)25-2)20-18(21)14-8-4-6-11-5-3-7-13(11)14/h4,6,8-10H,3,5,7H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid?
3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid has a molecular weight of 341.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 120686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).