3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide

C18H24N2O — CID 92756876

IUPAC3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
SMILESCc1cccc2c3c([nH]c12)CC[C@H](NC(=O)CC(C)C)C3
InChIInChI=1S/C18H24N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,11,13,20H,7-10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyHIBSAKPBJYPXSP-ZDUSSCGKSA-N
MW284.40 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide

3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide (PubChem CID 92756876) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
PubChem CID92756876
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
SMILESCc1cccc2c3c([nH]c12)CC[C@H](NC(=O)CC(C)C)C3
InChIInChI=1S/C18H24N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,11,13,20H,7-10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyHIBSAKPBJYPXSP-ZDUSSCGKSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.50
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-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
methyl 4-[(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-4-oxobutanoate
CID 46095686
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
CID 92756889
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
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
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 46098168
2-[3-(3-methylbutanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811578
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
CID 92762404

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide (CID 92756876) is 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide is Cc1cccc2c3c([nH]c12)CC[C@H](NC(=O)CC(C)C)C3.
What is the InChIKey of 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide?
The InChIKey is HIBSAKPBJYPXSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)9-17(21)19-13-7-8-16-15(10-13)14-6-4-5-12(3)18(14)20-16/h4-6,11,13,20H,7-10H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide?
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide has a molecular weight of 284.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide is sourced from PubChem (CID 92756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).