(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H22N2O2 — CID 26538290

IUPAC(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C21H22N2O2/c1-13-7-9-17-15(11-13)16-12-14(8-10-18(16)22-17)21(24)23-19-5-3-4-6-20(19)25-2/h3-6,8,10,12-13,22H,7,9,11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyMWWQOAQRKWSRHD-CYBMUJFWSA-N
MW334.42 g/mol
LogP4.55
Rot. Bonds3

About (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 26538290) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID26538290
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C21H22N2O2/c1-13-7-9-17-15(11-13)16-12-14(8-10-18(16)22-17)21(24)23-19-5-3-4-6-20(19)25-2/h3-6,8,10,12-13,22H,7,9,11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyMWWQOAQRKWSRHD-CYBMUJFWSA-N
XLogP4.55
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42969662
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
(6R)-N-(4-bromo-2-fluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2495222
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511110
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787292
N-[(Z)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511116
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43008935

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 26538290) is (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3.
What is the InChIKey of (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MWWQOAQRKWSRHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-7-9-17-15(11-13)16-12-14(8-10-18(16)22-17)21(24)23-19-5-3-4-6-20(19)25-2/h3-6,8,10,12-13,22H,7,9,11H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 26538290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).