methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate

C22H22N2O4 — CID 46416882

IUPACmethyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C22H22N2O4/c1-27-20(25)13-28-15-7-4-6-14(12-15)23-22(26)18-10-5-9-17-16-8-2-3-11-19(16)24-21(17)18/h4-7,9-10,12,24H,2-3,8,11,13H2,1H3,(H,23,26)
InChIKeyGQMSPXZDRQLYLL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.85
Rot. Bonds5

About methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate

methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate (PubChem CID 46416882) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
PubChem CID46416882
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namemethyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C22H22N2O4/c1-27-20(25)13-28-15-7-4-6-14(12-15)23-22(26)18-10-5-9-17-16-8-2-3-11-19(16)24-21(17)18/h4-7,9-10,12,24H,2-3,8,11,13H2,1H3,(H,23,26)
InChIKeyGQMSPXZDRQLYLL-UHFFFAOYSA-N
XLogP3.85
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55644369
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
CID 46267699
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate (CID 46416882) is methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1.
What is the InChIKey of methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate?
The InChIKey is GQMSPXZDRQLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-20(25)13-28-15-7-4-6-14(12-15)23-22(26)18-10-5-9-17-16-8-2-3-11-19(16)24-21(17)18/h4-7,9-10,12,24H,2-3,8,11,13H2,1H3,(H,23,26).
What are the key properties of methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate?
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate has a molecular weight of 378.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate is sourced from PubChem (CID 46416882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).