N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide

C22H30N2O — CID 110497534

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCCC1=CCCCC1)n2CC
InChIInChI=1S/C22H30N2O/c1-4-17-11-12-20-19(15-17)16(3)21(24(20)5-2)22(25)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H,23,25)
InChIKeyFFPJDKDVUGWRQK-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.15
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide (PubChem CID 110497534) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
PubChem CID110497534
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)NCCC1=CCCCC1)n2CC
InChIInChI=1S/C22H30N2O/c1-4-17-11-12-20-19(15-17)16(3)21(24(20)5-2)22(25)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H,23,25)
InChIKeyFFPJDKDVUGWRQK-UHFFFAOYSA-N
XLogP5.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647531
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide (CID 110497534) is N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)NCCC1=CCCCC1)n2CC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
The InChIKey is FFPJDKDVUGWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-4-17-11-12-20-19(15-17)16(3)21(24(20)5-2)22(25)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,5-diethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).