N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C20H28N2O2 — CID 66679181

IUPACN,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CC(C)Cc2c1c1ccccc1n2CCO
InChIInChI=1S/C20H28N2O2/c1-4-21(5-2)20(24)16-12-14(3)13-18-19(16)15-8-6-7-9-17(15)22(18)10-11-23/h6-9,14,16,23H,4-5,10-13H2,1-3H3
InChIKeyADHZTCBLMNZVKE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.17
Rot. Bonds5

About N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 66679181) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID66679181
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CC(C)Cc2c1c1ccccc1n2CCO
InChIInChI=1S/C20H28N2O2/c1-4-21(5-2)20(24)16-12-14(3)13-18-19(16)15-8-6-7-9-17(15)22(18)10-11-23/h6-9,14,16,23H,4-5,10-13H2,1-3H3
InChIKeyADHZTCBLMNZVKE-UHFFFAOYSA-N
XLogP3.17
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(diethylcarbamoyl)-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl thiohypofluorite;methoxymethane
CID 145093366
9-(2-(18F)fluoroethyl)-N,N-dihexyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57397041
2-(2-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanol
CID 141282093
6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57395887
N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57395968
ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
CID 91537262
[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
CID 57392496
8-ethoxy-N,N-diethyl-11-(2-hydroxyethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382951
N,N-diethyl-11-(2-(18F)fluoroethyl)-4-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71580386
9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 66679594
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 66679181) is N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)C1CC(C)Cc2c1c1ccccc1n2CCO.
What is the InChIKey of N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is ADHZTCBLMNZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-21(5-2)20(24)16-12-14(3)13-18-19(16)15-8-6-7-9-17(15)22(18)10-11-23/h6-9,14,16,23H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(2-hydroxyethyl)-2-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 66679181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).