methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate

C23H24N2O3 — CID 42941245

IUPACmethyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1
InChIInChI=1S/C23H24N2O3/c1-14-3-9-20-18(11-14)19-13-16(6-10-21(19)25-20)23(27)24-17-7-4-15(5-8-17)12-22(26)28-2/h4-8,10,13-14,25H,3,9,11-12H2,1-2H3,(H,24,27)
InChIKeyRQMTYLSMFSXQPO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.26
Rot. Bonds4

About methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate

methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate (PubChem CID 42941245) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
PubChem CID42941245
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Namemethyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1
InChIInChI=1S/C23H24N2O3/c1-14-3-9-20-18(11-14)19-13-16(6-10-21(19)25-20)23(27)24-17-7-4-15(5-8-17)12-22(26)28-2/h4-8,10,13-14,25H,3,9,11-12H2,1-2H3,(H,24,27)
InChIKeyRQMTYLSMFSXQPO-UHFFFAOYSA-N
XLogP4.26
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate with MolForge

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Related Compounds

methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
methyl 4-methyl-2-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]pentanoate
CID 18284651
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate (CID 42941245) is methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1.
What is the InChIKey of methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate?
The InChIKey is RQMTYLSMFSXQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14-3-9-20-18(11-14)19-13-16(6-10-21(19)25-20)23(27)24-17-7-4-15(5-8-17)12-22(26)28-2/h4-8,10,13-14,25H,3,9,11-12H2,1-2H3,(H,24,27).
What are the key properties of methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate?
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate has a molecular weight of 376.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate is sourced from PubChem (CID 42941245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).