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

C22H24N2O — CID 113097328

IUPACN,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)cc1C
InChIInChI=1S/C22H24N2O/c1-14-8-9-16(12-15(14)2)22(25)24(3)17-10-11-21-19(13-17)18-6-4-5-7-20(18)23-21/h4-9,12,17,23H,10-11,13H2,1-3H3
InChIKeyZOJSFNZEXVRRLV-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.41
Rot. Bonds2

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

N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097328) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097328
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)cc1C
InChIInChI=1S/C22H24N2O/c1-14-8-9-16(12-15(14)2)22(25)24(3)17-10-11-21-19(13-17)18-6-4-5-7-20(18)23-21/h4-9,12,17,23H,10-11,13H2,1-3H3
InChIKeyZOJSFNZEXVRRLV-UHFFFAOYSA-N
XLogP4.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide
CID 23470229
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097328) is N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is Cc1ccc(C(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is ZOJSFNZEXVRRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-14-8-9-16(12-15(14)2)22(25)24(3)17-10-11-21-19(13-17)18-6-4-5-7-20(18)23-21/h4-9,12,17,23H,10-11,13H2,1-3H3.
What are the key properties of N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).