N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

C19H26N2O — CID 113086180

IUPACN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C19H26N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyNFHQKSABFHVHJI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.02
Rot. Bonds4

About N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 113086180) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID113086180
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)C3CCCCC3)c2c1
InChIInChI=1S/C19H26N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H,20,22)
InChIKeyNFHQKSABFHVHJI-UHFFFAOYSA-N
XLogP4.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.02
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-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
trans-2,2,2-trifluoroethyl (1R,2R)-2-[2-(2,5-dimethyl-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate
CID 1266819
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 124852403
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
1-butyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiourea
CID 43953000
(1S,3R,4R)-3-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155498993
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-cyclohexylthiourea
CID 43952994
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
acetic acid;(1S,3R,4R)-4-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
CID 155971564
cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 166276508

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (CID 113086180) is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is Cc1ccc2[nH]c(C)c(CCNC(=O)C3CCCCC3)c2c1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is NFHQKSABFHVHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(22)15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113086180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).