3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C21H22N2O2 — CID 113097324

IUPAC3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C21H22N2O2/c1-23(21(24)14-6-5-7-16(12-14)25-2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)22-20/h3-9,12,15,22H,10-11,13H2,1-2H3
InChIKeyITZYMGHJDWBSJZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds3

About 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097324) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097324
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)c1
InChIInChI=1S/C21H22N2O2/c1-23(21(24)14-6-5-7-16(12-14)25-2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)22-20/h3-9,12,15,22H,10-11,13H2,1-2H3
InChIKeyITZYMGHJDWBSJZ-UHFFFAOYSA-N
XLogP3.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
(3-methoxyphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 11594688
(17S)-15-hydroxy-N-(4-methoxyphenyl)-N-methyl-6,16-diazatetracyclo[17.3.1.05,13.07,12]tricosa-1(23),5(13),7,9,11,19,21-heptaene-17-carboxamide
CID 130286854
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097324) is 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is COc1cccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is ITZYMGHJDWBSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(21(24)14-6-5-7-16(12-14)25-2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)22-20/h3-9,12,15,22H,10-11,13H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).