2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid

C18H17N3O4 — CID 22013003

IUPAC2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O4/c1-11-6-8-12(9-7-11)19-17(25)21-18(10-15(22)23)13-4-2-3-5-14(13)20-16(18)24/h2-9H,10H2,1H3,(H,20,24)(H,22,23)(H2,19,21,25)
InChIKeyQMAZZHHPJFVLNS-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.44
Rot. Bonds4

About 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid

2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid (PubChem CID 22013003) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid
PubChem CID22013003
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O4/c1-11-6-8-12(9-7-11)19-17(25)21-18(10-15(22)23)13-4-2-3-5-14(13)20-16(18)24/h2-9H,10H2,1H3,(H,20,24)(H,22,23)(H2,19,21,25)
InChIKeyQMAZZHHPJFVLNS-UHFFFAOYSA-N
XLogP2.44
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid
CID 70146505
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 132839196
N-(4-methylphenyl)-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1-(2-oxoethyl)indol-3-yl]acetamide
CID 18373415
2-[1-(methoxymethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 22012972
2-[1-(2-hydroxyiminoethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 86754506
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
2-[(3S)-1-[2,2-di(propan-2-yloxy)ethyl]-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 10210130
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
4-[[2-[1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetyl]amino]benzoic acid
CID 22013005
4-[[(3S)-1-(2,2-diethoxyethyl)-3-[2-(4-methylanilino)-2-oxoethyl]-2-oxoindol-3-yl]carbamoylamino]benzoic acid
CID 70146495
2-[(3S)-1-[2,2-bis(2-chloroethoxy)ethyl]-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CID 10232661
3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)-1H-indol-2-one
CID 46845599

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid (CID 22013003) is 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid is Cc1ccc(NC(=O)NC2(CC(=O)O)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid?
The InChIKey is QMAZZHHPJFVLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-6-8-12(9-7-11)19-17(25)21-18(10-15(22)23)13-4-2-3-5-14(13)20-16(18)24/h2-9H,10H2,1H3,(H,20,24)(H,22,23)(H2,19,21,25).
What are the key properties of 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid?
2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid has a molecular weight of 339.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 22013003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).