[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate

C18H16N2O4 — CID 160532757

IUPAC[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O4/c1-11(21)24-13-7-8-15(17(10-13)23-2)20-18(22)16-9-12-5-3-4-6-14(12)19-16/h3-10,19H,1-2H3,(H,20,22)
InChIKeyQVTNLNQJQVVWKE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.35
Rot. Bonds4

About [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate

[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate (PubChem CID 160532757) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate
PubChem CID160532757
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate
SMILESCOc1cc(OC(C)=O)ccc1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O4/c1-11(21)24-13-7-8-15(17(10-13)23-2)20-18(22)16-9-12-5-3-4-6-14(12)19-16/h3-10,19H,1-2H3,(H,20,22)
InChIKeyQVTNLNQJQVVWKE-UHFFFAOYSA-N
XLogP3.35
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
CID 4587719
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 155903060
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 51145976
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate?
The IUPAC name of [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate (CID 160532757) is [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate.
What is the SMILES notation for [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate?
The canonical SMILES for [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate is COc1cc(OC(C)=O)ccc1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate?
The InChIKey is QVTNLNQJQVVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)24-13-7-8-15(17(10-13)23-2)20-18(22)16-9-12-5-3-4-6-14(12)19-16/h3-10,19H,1-2H3,(H,20,22).
What are the key properties of [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate?
[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate has a molecular weight of 324.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate is sourced from PubChem (CID 160532757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).