(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C20H27FN2O2 — CID 51040949

IUPAC(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CC[18F]
InChIInChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1/i21-1
InChIKeyZVDVQPLDTTXLKI-LSKWOKDISA-N
MW345.45 g/mol
LogP3.91
Rot. Bonds6

About (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 51040949) has the molecular formula C20H27FN2O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID51040949
Molecular FormulaC20H27FN2O2
Molecular Weight345.45 g/mol
Exact Mass345.21
IUPAC Name(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CC[18F]
InChIInChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1/i21-1
InChIKeyZVDVQPLDTTXLKI-LSKWOKDISA-N
XLogP3.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
CID 1372
Ammtc
CID 5311004
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
Carbazole-3-carboxamide analog 1
CID 46871948
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
CID 10543296
N,N-diethyl-11-(2-fluoroethyl)-9-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382975
1-(4-Fluorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
CID 3448892
3-(4-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327696
N-[2-(6-methoxy-2-phenylindol-1-yl)ethyl]propanamide
CID 10448812
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide
CID 10637970
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 4971710

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 51040949) is (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CC[18F].
What is the InChIKey of (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is ZVDVQPLDTTXLKI-LSKWOKDISA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1/i21-1.
What are the key properties of (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
(4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-diethyl-9-(2-(18F)fluoroethyl)-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 51040949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).