N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

C16H20N2O — CID 42656697

IUPACN-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESCCC(=O)NC1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C16H20N2O/c1-3-15(19)17-11-7-8-14-13(9-11)12-6-4-5-10(2)16(12)18-14/h4-6,11,18H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyNALYUQJMUBJBHW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds2

About N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (PubChem CID 42656697) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
PubChem CID42656697
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESCCC(=O)NC1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C16H20N2O/c1-3-15(19)17-11-7-8-14-13(9-11)12-6-4-5-10(2)16(12)18-14/h4-6,11,18H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyNALYUQJMUBJBHW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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

3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
methyl 4-[(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-4-oxobutanoate
CID 46095686
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
CID 92756889
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 46098190
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 46098168
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide
CID 101014141
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The IUPAC name of N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (CID 42656697) is N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.
What is the SMILES notation for N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The canonical SMILES for N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is CCC(=O)NC1CCc2[nH]c3c(C)cccc3c2C1.
What is the InChIKey of N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The InChIKey is NALYUQJMUBJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-15(19)17-11-7-8-14-13(9-11)12-6-4-5-10(2)16(12)18-14/h4-6,11,18H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is sourced from PubChem (CID 42656697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).