1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid

C26H26N2O4 — CID 141433164

IUPAC1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)cc1NCCc1ccccc1
InChIInChI=1S/C26H26N2O4/c1-32-23-12-11-19(16-22(23)27-14-13-17-7-3-2-4-8-17)25(29)28-24-20-10-6-5-9-18(20)15-21(24)26(30)31/h2-12,16,21,24,27H,13-15H2,1H3,(H,28,29)(H,30,31)
InChIKeyJYKWXMYVONFMDB-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.08
Rot. Bonds8

About 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid

1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 141433164) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID141433164
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)cc1NCCc1ccccc1
InChIInChI=1S/C26H26N2O4/c1-32-23-12-11-19(16-22(23)27-14-13-17-7-3-2-4-8-17)25(29)28-24-20-10-6-5-9-18(20)15-21(24)26(30)31/h2-12,16,21,24,27H,13-15H2,1H3,(H,28,29)(H,30,31)
InChIKeyJYKWXMYVONFMDB-UHFFFAOYSA-N
XLogP4.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

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Related Compounds

3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166274188
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 136578177
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166375745
3-amino-N-cyclopropyl-4-(2-phenylethylamino)benzamide
CID 100622291
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 140974945
(2S)-2-amino-3-[3-methoxy-4-(2-phenylethylamino)phenyl]propanoic acid
CID 66908446
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxybenzoic acid
CID 66418341

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 141433164) is 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid is COc1ccc(C(=O)NC2c3ccccc3CC2C(=O)O)cc1NCCc1ccccc1.
What is the InChIKey of 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is JYKWXMYVONFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-32-23-12-11-19(16-22(23)27-14-13-17-7-3-2-4-8-17)25(29)28-24-20-10-6-5-9-18(20)15-21(24)26(30)31/h2-12,16,21,24,27H,13-15H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(2-phenylethylamino)benzoyl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 141433164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).