4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid

C19H19NO4 — CID 154740041

IUPAC4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C19H19NO4/c1-24-17-10-14(19(22)23)8-9-16(17)20-18(21)11-13-7-6-12-4-2-3-5-15(12)13/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRNJNNASPQSIXTF-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.45
Rot. Bonds5

About 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid

4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid (PubChem CID 154740041) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
PubChem CID154740041
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C19H19NO4/c1-24-17-10-14(19(22)23)8-9-16(17)20-18(21)11-13-7-6-12-4-2-3-5-15(12)13/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyRNJNNASPQSIXTF-UHFFFAOYSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 86955608
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
CID 86957152
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxybenzoic acid
CID 66418341
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
2-(2,3-dihydro-1H-inden-1-yl)-N-[5-(3-fluoroazetidine-1-carbonyl)-2-methylphenyl]acetamide
CID 172658689
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397323

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid?
The IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid (CID 154740041) is 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1NC(=O)CC1CCc2ccccc21.
What is the InChIKey of 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid?
The InChIKey is RNJNNASPQSIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-17-10-14(19(22)23)8-9-16(17)20-18(21)11-13-7-6-12-4-2-3-5-15(12)13/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid?
4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid is sourced from PubChem (CID 154740041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).