4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid

C19H19NO4 — CID 138054713

IUPAC4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
SMILESCOc1ccc2c(c1)C(C(=O)NCc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C19H19NO4/c1-24-15-8-6-13-7-9-16(17(13)10-15)18(21)20-11-12-2-4-14(5-3-12)19(22)23/h2-6,8,10,16H,7,9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyVQXVZVRBDPFQIY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.74
Rot. Bonds5

About 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid

4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid (PubChem CID 138054713) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
PubChem CID138054713
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
SMILESCOc1ccc2c(c1)C(C(=O)NCc1ccc(C(=O)O)cc1)CC2
InChIInChI=1S/C19H19NO4/c1-24-15-8-6-13-7-9-16(17(13)10-15)18(21)20-11-12-2-4-14(5-3-12)19(22)23/h2-6,8,10,16H,7,9,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyVQXVZVRBDPFQIY-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid with MolForge

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Related Compounds

ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 118562102
4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 144974031
4-[[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122019601
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentene-1-carbonyl]amino]methyl]benzoic acid
CID 118562079
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 11076588
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
4-[[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122020500
6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 122652393

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid (CID 138054713) is 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid is COc1ccc2c(c1)C(C(=O)NCc1ccc(C(=O)O)cc1)CC2.
What is the InChIKey of 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid?
The InChIKey is VQXVZVRBDPFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-15-8-6-13-7-9-16(17(13)10-15)18(21)20-11-12-2-4-14(5-3-12)19(22)23/h2-6,8,10,16H,7,9,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid?
4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 138054713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).