methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate

C19H24N2O4 — CID 71931226

IUPACmethyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
SMILESCOCCN(CC(=O)OC)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H24N2O4/c1-24-10-9-21(12-18(22)25-2)19(23)13-7-8-17-15(11-13)14-5-3-4-6-16(14)20-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3
InChIKeyCGOFHNCWIKCLAQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.31
Rot. Bonds6

About methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate

methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate (PubChem CID 71931226) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
PubChem CID71931226
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
SMILESCOCCN(CC(=O)OC)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H24N2O4/c1-24-10-9-21(12-18(22)25-2)19(23)13-7-8-17-15(11-13)14-5-3-4-6-16(14)20-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3
InChIKeyCGOFHNCWIKCLAQ-UHFFFAOYSA-N
XLogP2.31
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18292641
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 34255025
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
N-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71942745
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate (CID 71931226) is methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate is COCCN(CC(=O)OC)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate?
The InChIKey is CGOFHNCWIKCLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-10-9-21(12-18(22)25-2)19(23)13-7-8-17-15(11-13)14-5-3-4-6-16(14)20-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate?
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate has a molecular weight of 344.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 71931226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).