N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide

C23H27N3O2 — CID 143184985

IUPACN-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide
SMILESCCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(NC)c2cc(OC)ccc21
InChIInChI=1S/C23H27N3O2/c1-4-26-20-13-12-18(28-3)14-19(20)21(24-2)22(26)15-8-10-17(11-9-15)25-23(27)16-6-5-7-16/h8-14,16,24H,4-7H2,1-3H3,(H,25,27)
InChIKeyWQDLIKXQPXGFPZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.12
Rot. Bonds6

About N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide

N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide (PubChem CID 143184985) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide
PubChem CID143184985
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide
SMILESCCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(NC)c2cc(OC)ccc21
InChIInChI=1S/C23H27N3O2/c1-4-26-20-13-12-18(28-3)14-19(20)21(24-2)22(26)15-8-10-17(11-9-15)25-23(27)16-6-5-7-16/h8-14,16,24H,4-7H2,1-3H3,(H,25,27)
InChIKeyWQDLIKXQPXGFPZ-UHFFFAOYSA-N
XLogP5.12
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
CID 59425200
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 161219908
N-[9-ethyl-6-(hydroxymethyl)carbazol-3-yl]cyclohexanecarboxamide
CID 143174417
2-methylpropyl N-[4-(3-amino-1-cyclobutyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 70844575
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
CID 58694115
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide (CID 143184985) is N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide is CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(NC)c2cc(OC)ccc21.
What is the InChIKey of N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is WQDLIKXQPXGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-26-20-13-12-18(28-3)14-19(20)21(24-2)22(26)15-8-10-17(11-9-15)25-23(27)16-6-5-7-16/h8-14,16,24H,4-7H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide?
N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 143184985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).