2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid

C19H18N2O6 — CID 167761114

IUPAC2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C19H18N2O6/c1-25-13-7-15-14(17(8-13)26-2)9-16(21-15)19(24)20-11-3-5-12(6-4-11)27-10-18(22)23/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZKXVGSSDVYKYGA-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.90
Rot. Bonds7

About 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid

2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 167761114) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID167761114
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C19H18N2O6/c1-25-13-7-15-14(17(8-13)26-2)9-16(21-15)19(24)20-11-3-5-12(6-4-11)27-10-18(22)23/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZKXVGSSDVYKYGA-UHFFFAOYSA-N
XLogP2.90
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 31955158
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
2-[4-[(2,5-dimethylthiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 62034278
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
methyl 2-[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]phenoxy]acetate
CID 122207546
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid (CID 167761114) is 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid is COc1cc(OC)c2cc(C(=O)Nc3ccc(OCC(=O)O)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is ZKXVGSSDVYKYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-13-7-15-14(17(8-13)26-2)9-16(21-15)19(24)20-11-3-5-12(6-4-11)27-10-18(22)23/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 370.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-dimethoxy-1H-indole-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 167761114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).