3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide

C18H22N2O — CID 92756889

IUPAC3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
SMILESCC(C)=CC(=O)N[C@@H]1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C18H22N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,9,13,20H,7-8,10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyYTJPCBQAYQAQQN-CYBMUJFWSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds2

About 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide

3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide (PubChem CID 92756889) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
PubChem CID92756889
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
SMILESCC(C)=CC(=O)N[C@@H]1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C18H22N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,9,13,20H,7-8,10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyYTJPCBQAYQAQQN-CYBMUJFWSA-N
XLogP3.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
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
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 46098190
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 46098168
7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 11708326
8-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 23470475
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 84631314
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-cyclopropyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 155680782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide?
The IUPAC name of 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide (CID 92756889) is 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide is CC(C)=CC(=O)N[C@@H]1CCc2[nH]c3c(C)cccc3c2C1.
What is the InChIKey of 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide?
The InChIKey is YTJPCBQAYQAQQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,9,13,20H,7-8,10H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide?
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide has a molecular weight of 282.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide is sourced from PubChem (CID 92756889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).