9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide

C28H29N3O4 — CID 164781527

IUPAC9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCc2c(c3ccccc3n2CC(=O)NCc2ccco2)C1
InChIInChI=1S/C28H29N3O4/c1-34-26-11-5-2-7-20(26)16-30-28(33)19-12-13-25-23(15-19)22-9-3-4-10-24(22)31(25)18-27(32)29-17-21-8-6-14-35-21/h2-11,14,19H,12-13,15-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyJUZHNOAMLIVFPJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.98
Rot. Bonds8

About 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide

9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 164781527) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID164781527
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCc2c(c3ccccc3n2CC(=O)NCc2ccco2)C1
InChIInChI=1S/C28H29N3O4/c1-34-26-11-5-2-7-20(26)16-30-28(33)19-12-13-25-23(15-19)22-9-3-4-10-24(22)31(25)18-27(32)29-17-21-8-6-14-35-21/h2-11,14,19H,12-13,15-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyJUZHNOAMLIVFPJ-UHFFFAOYSA-N
XLogP3.98
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-9-[2-(3-oxabicyclo[4.1.0]hepta-1,4-dien-4-ylmethylamino)-2-oxoethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688080
9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 164781464
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
N-[(2-methylphenyl)methyl]-9-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688045
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358490
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 164781527) is 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide is COc1ccccc1CNC(=O)C1CCc2c(c3ccccc3n2CC(=O)NCc2ccco2)C1.
What is the InChIKey of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is JUZHNOAMLIVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-34-26-11-5-2-7-20(26)16-30-28(33)19-12-13-25-23(15-19)22-9-3-4-10-24(22)31(25)18-27(32)29-17-21-8-6-14-35-21/h2-11,14,19H,12-13,15-18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 164781527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).