N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H22N2O3 — CID 27252931

IUPACN-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-14-8-10-19(20(12-14)26-2)23-21(24)13-7-9-18-16(11-13)15-5-3-4-6-17(15)22-18/h7-12,22H,3-6H2,1-2H3,(H,23,24)
InChIKeyNMZRIGWRVJKOCH-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.32
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 27252931) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID27252931
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-14-8-10-19(20(12-14)26-2)23-21(24)13-7-9-18-16(11-13)15-5-3-4-6-17(15)22-18/h7-12,22H,3-6H2,1-2H3,(H,23,24)
InChIKeyNMZRIGWRVJKOCH-UHFFFAOYSA-N
XLogP4.32
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 27252931) is N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is NMZRIGWRVJKOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-14-8-10-19(20(12-14)26-2)23-21(24)13-7-9-18-16(11-13)15-5-3-4-6-17(15)22-18/h7-12,22H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 27252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).