N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C26H35FN2O3 — CID 58326254

IUPACN-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCCF)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C26H35FN2O3/c1-3-29(17-21(30)5-4-12-27)26(31)20-7-9-25-23(16-20)22-15-19(6-8-24(22)28(25)2)18-10-13-32-14-11-18/h7,9,16,18-19H,3-6,8,10-15,17H2,1-2H3
InChIKeyBLWYRFDBASIFCE-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.49
Rot. Bonds8

About N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 58326254) has the molecular formula C26H35FN2O3 and a molecular weight of 442.58 g/mol. Its IUPAC name is N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID58326254
Molecular FormulaC26H35FN2O3
Molecular Weight442.58 g/mol
Exact Mass442.26
IUPAC NameN-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)CCCF)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C26H35FN2O3/c1-3-29(17-21(30)5-4-12-27)26(31)20-7-9-25-23(16-20)22-15-19(6-8-24(22)28(25)2)18-10-13-32-14-11-18/h7,9,16,18-19H,3-6,8,10-15,17H2,1-2H3
InChIKeyBLWYRFDBASIFCE-UHFFFAOYSA-N
XLogP4.49
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.49
H-Bond Donors ≤ 50
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-ethyl-9-methyl-6-(oxan-4-yl)-N-(2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 159296235
N-[2-[cyano(methyl)amino]-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197002
N-ethyl-N-[4-(2-hydroxyethylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 67252003
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197005
N-ethyl-9-ethylsulfonyl-N-(5-hydroxy-2-oxohexyl)-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;2-[ethyl-[9-ethylsulfonyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]amino]acetic acid
CID 160670213
N-ethyl-9-ethylsulfonyl-6-(oxan-4-yl)-N-[3-(oxetan-3-yl)-2-oxopropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326286
3-N-ethyl-3-N-[2-(ethylamino)-2-oxoethyl]-9-N,9-N-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3,9-dicarboxamide
CID 25195992
N-[4-(cyclopropylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196773
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196664
N-[2-[cyclopropylcarbamothioyl(methyl)amino]ethyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196550
(6R)-N-[(3S)-6-(ethylamino)-1-hydroxy-6-oxohexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766400
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 161292285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 58326254) is N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)CCCF)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1.
What is the InChIKey of N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is BLWYRFDBASIFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O3/c1-3-29(17-21(30)5-4-12-27)26(31)20-7-9-25-23(16-20)22-15-19(6-8-24(22)28(25)2)18-10-13-32-14-11-18/h7,9,16,18-19H,3-6,8,10-15,17H2,1-2H3.
What are the key properties of N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 58326254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).