N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide

C20H22N2O3 — CID 18982851

IUPACN-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCc1ccc2c([nH]c3ccc(OC)cc32)c1C
InChIInChI=1S/C20H22N2O3/c1-4-18(23)20(24)21-10-9-13-5-7-15-16-11-14(25-3)6-8-17(16)22-19(15)12(13)2/h5-8,11,22H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyRQNXGDYBCCXVKU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide

N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide (PubChem CID 18982851) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide
PubChem CID18982851
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)NCCc1ccc2c([nH]c3ccc(OC)cc32)c1C
InChIInChI=1S/C20H22N2O3/c1-4-18(23)20(24)21-10-9-13-5-7-15-16-11-14(25-3)6-8-17(16)22-19(15)12(13)2/h5-8,11,22H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyRQNXGDYBCCXVKU-UHFFFAOYSA-N
XLogP3.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-N-methylacetamide
CID 3022622
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
N-hydroxy-6-methoxy-1,4-dimethyl-9H-carbazol-3-amine oxide
CID 21142511
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane
CID 145466112
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 8016363

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide?
The IUPAC name of N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide (CID 18982851) is N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide.
What is the SMILES notation for N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide?
The canonical SMILES for N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide is CCC(=O)C(=O)NCCc1ccc2c([nH]c3ccc(OC)cc32)c1C.
What is the InChIKey of N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide?
The InChIKey is RQNXGDYBCCXVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-18(23)20(24)21-10-9-13-5-7-15-16-11-14(25-3)6-8-17(16)22-19(15)12(13)2/h5-8,11,22H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide?
N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide has a molecular weight of 338.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1-methyl-9H-carbazol-2-yl)ethyl]-2-oxobutanamide is sourced from PubChem (CID 18982851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).