N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C25H34FN3O3 — CID 25197005

IUPACN-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESC[C@@H](C(=O)NCCF)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C25H34FN3O3/c1-16(24(30)27-11-10-26)28(2)25(31)19-5-7-23-21(15-19)20-14-18(4-6-22(20)29(23)3)17-8-12-32-13-9-17/h5,7,15-18H,4,6,8-14H2,1-3H3,(H,27,30)/t16-,18?/m0/s1
InChIKeyJHPJVQBUBAAIOD-ATNAJCNCSA-N
MW443.56 g/mol
LogP3.26
Rot. Bonds6

About N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 25197005) has the molecular formula C25H34FN3O3 and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID25197005
Molecular FormulaC25H34FN3O3
Molecular Weight443.56 g/mol
Exact Mass443.26
IUPAC NameN-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESC[C@@H](C(=O)NCCF)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C25H34FN3O3/c1-16(24(30)27-11-10-26)28(2)25(31)19-5-7-23-21(15-19)20-14-18(4-6-22(20)29(23)3)17-8-12-32-13-9-17/h5,7,15-18H,4,6,8-14H2,1-3H3,(H,27,30)/t16-,18?/m0/s1
InChIKeyJHPJVQBUBAAIOD-ATNAJCNCSA-N
XLogP3.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-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

(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
(6R)-N-[(3S)-1-hydroxy-6-oxo-6-(propan-2-ylamino)hexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766341
N-ethyl-N-(5-fluoro-2-oxopentyl)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 58326254
N-[2-[cyclopropylcarbamothioyl(methyl)amino]ethyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196550
N-[3-(cyclopropylamino)-3-oxopropyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196664
N-[4-(cyclopropylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25196773
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-[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
N-ethyl-N-[4-(2-hydroxyethylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 67252003
(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 25195780
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 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) is N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is C[C@@H](C(=O)NCCF)N(C)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1.
What is the InChIKey of N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is JHPJVQBUBAAIOD-ATNAJCNCSA-N. The full InChI is InChI=1S/C25H34FN3O3/c1-16(24(30)27-11-10-26)28(2)25(31)19-5-7-23-21(15-19)20-14-18(4-6-22(20)29(23)3)17-8-12-32-13-9-17/h5,7,15-18H,4,6,8-14H2,1-3H3,(H,27,30)/t16-,18?/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 25197005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).