N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide

C22H24N2O — CID 84580220

IUPACN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCc1ccccc1)C3
InChIInChI=1S/C22H24N2O/c1-15-7-11-20-19(13-15)18-10-9-17(14-21(18)24-20)23-22(25)12-8-16-5-3-2-4-6-16/h2-7,11,13,17,24H,8-10,12,14H2,1H3,(H,23,25)
InChIKeyYKUOKFRAWHOKRK-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.08
Rot. Bonds4

About N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide

N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide (PubChem CID 84580220) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
PubChem CID84580220
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
SMILESCc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCc1ccccc1)C3
InChIInChI=1S/C22H24N2O/c1-15-7-11-20-19(13-15)18-10-9-17(14-21(18)24-20)23-22(25)12-8-16-5-3-2-4-6-16/h2-7,11,13,17,24H,8-10,12,14H2,1H3,(H,23,25)
InChIKeyYKUOKFRAWHOKRK-UHFFFAOYSA-N
XLogP4.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84582066
2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580341
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
5-chloro-2-methoxy-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579933
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide (CID 84580220) is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide is Cc1ccc2[nH]c3c(c2c1)CCC(NC(=O)CCc1ccccc1)C3.
What is the InChIKey of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide?
The InChIKey is YKUOKFRAWHOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-7-11-20-19(13-15)18-10-9-17(14-21(18)24-20)23-22(25)12-8-16-5-3-2-4-6-16/h2-7,11,13,17,24H,8-10,12,14H2,1H3,(H,23,25).
What are the key properties of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide?
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 84580220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).