N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide

C18H17N3O4 — CID 51087336

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1OCC(N)=O
InChIInChI=1S/C18H17N3O4/c1-24-15-5-4-13(9-16(15)25-10-17(19)22)21-18(23)12-3-2-11-6-7-20-14(11)8-12/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyPETDBGWYXIMPLV-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide (PubChem CID 51087336) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
PubChem CID51087336
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1OCC(N)=O
InChIInChI=1S/C18H17N3O4/c1-24-15-5-4-13(9-16(15)25-10-17(19)22)21-18(23)12-3-2-11-6-7-20-14(11)8-12/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23)
InChIKeyPETDBGWYXIMPLV-UHFFFAOYSA-N
XLogP2.29
TPSA106.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
N-[3-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 19058365
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide (CID 51087336) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide is COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide?
The InChIKey is PETDBGWYXIMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-15-5-4-13(9-16(15)25-10-17(19)22)21-18(23)12-3-2-11-6-7-20-14(11)8-12/h2-9,20H,10H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 51087336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).