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

C25H29N3O4 — CID 164781464

IUPAC9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESO=C(Cn1c2c(c3ccccc31)CC(C(=O)NCC1CCCO1)CC2)NCc1ccco1
InChIInChI=1S/C25H29N3O4/c29-24(26-14-18-5-3-11-31-18)16-28-22-8-2-1-7-20(22)21-13-17(9-10-23(21)28)25(30)27-15-19-6-4-12-32-19/h1-3,5,7-8,11,17,19H,4,6,9-10,12-16H2,(H,26,29)(H,27,30)
InChIKeyIHVKAFZKOBJMPQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.95
Rot. Bonds7

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

9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 164781464) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID164781464
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESO=C(Cn1c2c(c3ccccc31)CC(C(=O)NCC1CCCO1)CC2)NCc1ccco1
InChIInChI=1S/C25H29N3O4/c29-24(26-14-18-5-3-11-31-18)16-28-22-8-2-1-7-20(22)21-13-17(9-10-23(21)28)25(30)27-15-19-6-4-12-32-19/h1-3,5,7-8,11,17,19H,4,6,9-10,12-16H2,(H,26,29)(H,27,30)
InChIKeyIHVKAFZKOBJMPQ-UHFFFAOYSA-N
XLogP2.95
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.95
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

9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 164781527
2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3143624
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837191
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-(furan-2-ylmethyl)-2-[3-[(Z)-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126154647
2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3525347
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 6621477
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182

Frequently Asked Questions

What is the IUPAC name of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 164781464) is 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide is O=C(Cn1c2c(c3ccccc31)CC(C(=O)NCC1CCCO1)CC2)NCc1ccco1.
What is the InChIKey of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is IHVKAFZKOBJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-24(26-14-18-5-3-11-31-18)16-28-22-8-2-1-7-20(22)21-13-17(9-10-23(21)28)25(30)27-15-19-6-4-12-32-19/h1-3,5,7-8,11,17,19H,4,6,9-10,12-16H2,(H,26,29)(H,27,30).
What are the key properties of 9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
9-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 2.95, 7 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-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 164781464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).