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

C16H20N2O — CID 84581853

IUPAC2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
SMILESCC(C)C(=O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-10(2)16(19)17-11-7-8-13-12-5-3-4-6-14(12)18-15(13)9-11/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKTFMPBGTZDYFEV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.80
Rot. Bonds2

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

2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide (PubChem CID 84581853) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
PubChem CID84581853
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
SMILESCC(C)C(=O)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C16H20N2O/c1-10(2)16(19)17-11-7-8-13-12-5-3-4-6-14(12)18-15(13)9-11/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKTFMPBGTZDYFEV-UHFFFAOYSA-N
XLogP2.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.80
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-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
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
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84582066
(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide (CID 84581853) is 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide is CC(C)C(=O)NC1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The InChIKey is KTFMPBGTZDYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10(2)16(19)17-11-7-8-13-12-5-3-4-6-14(12)18-15(13)9-11/h3-6,10-11,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide is sourced from PubChem (CID 84581853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).