N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide

C19H24N2O3 — CID 113206869

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCC3=CCCCC3)c2cc1OC
InChIInChI=1S/C19H24N2O3/c1-23-17-10-14-15(12-21-16(14)11-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h6,10-12,21H,3-5,7-9H2,1-2H3,(H,20,22)
InChIKeyRPZSITCOBYYSFZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113206869) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113206869
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCC3=CCCCC3)c2cc1OC
InChIInChI=1S/C19H24N2O3/c1-23-17-10-14-15(12-21-16(14)11-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h6,10-12,21H,3-5,7-9H2,1-2H3,(H,20,22)
InChIKeyRPZSITCOBYYSFZ-UHFFFAOYSA-N
XLogP3.81
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1000937
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448613

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113206869) is N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NCCC3=CCCCC3)c2cc1OC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is RPZSITCOBYYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-17-10-14-15(12-21-16(14)11-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h6,10-12,21H,3-5,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).