4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid

C20H22N2O4 — CID 118918219

IUPAC4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCC(O)CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C20H22N2O4/c23-18(11-21-17-9-15-3-1-2-4-16(15)10-17)12-22-19(24)13-5-7-14(8-6-13)20(25)26/h1-8,17-18,21,23H,9-12H2,(H,22,24)(H,25,26)
InChIKeyYWINOMFOOPEVFN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.23
Rot. Bonds7

About 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid

4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid (PubChem CID 118918219) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
PubChem CID118918219
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCC(O)CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C20H22N2O4/c23-18(11-21-17-9-15-3-1-2-4-16(15)10-17)12-22-19(24)13-5-7-14(8-6-13)20(25)26/h1-8,17-18,21,23H,9-12H2,(H,22,24)(H,25,26)
InChIKeyYWINOMFOOPEVFN-UHFFFAOYSA-N
XLogP1.23
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918265
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(1,1-dioxothiane-4-carbonyl)benzamide
CID 146047503
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)benzamide
CID 118929237
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(3,3-dimethylmorpholine-4-carbonyl)benzamide
CID 118929283
2-acetyl-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 118929084
3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
CID 118929130
3-[[4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]-2-pyridinyl]amino]azetidine-1-carboxylic acid
CID 118918283
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(pyrrolidine-1-carbonyl)benzamide
CID 118929277
3-[[4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]-2-pyridinyl]amino]azetidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 118918282
[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
CID 146969644
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
CID 118929134
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(morpholine-4-carbonyl)benzamide
CID 118929074

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid (CID 118918219) is 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)NCC(O)CNC2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid?
The InChIKey is YWINOMFOOPEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18(11-21-17-9-15-3-1-2-4-16(15)10-17)12-22-19(24)13-5-7-14(8-6-13)20(25)26/h1-8,17-18,21,23H,9-12H2,(H,22,24)(H,25,26).
What are the key properties of 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid?
4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid has a molecular weight of 354.41 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid is sourced from PubChem (CID 118918219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).