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

C17H22N2O — CID 113096517

IUPAC3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-11(2)9-17(20)18-12-7-8-16-14(10-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyMJLCTNULFVIHND-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds3

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

3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide (PubChem CID 113096517) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
PubChem CID113096517
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
SMILESCC(C)CC(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C17H22N2O/c1-11(2)9-17(20)18-12-7-8-16-14(10-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyMJLCTNULFVIHND-UHFFFAOYSA-N
XLogP3.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
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-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 57257831
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 14130472
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide (CID 113096517) is 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide is CC(C)CC(=O)NC1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide?
The InChIKey is MJLCTNULFVIHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)9-17(20)18-12-7-8-16-14(10-12)13-5-3-4-6-15(13)19-16/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide?
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide has a molecular weight of 270.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide is sourced from PubChem (CID 113096517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).