5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide

C20H26N2O2 — CID 11782370

IUPAC5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3CCC(C)=CCC3(C)C)cc2c1
InChIInChI=1S/C20H26N2O2/c1-13-5-8-18(20(2,3)10-9-13)22-19(23)17-12-14-11-15(24-4)6-7-16(14)21-17/h6-7,9,11-12,18,21H,5,8,10H2,1-4H3,(H,22,23)
InChIKeyGGEBXMFXMDQUIT-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.43
Rot. Bonds3

About 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide

5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide (PubChem CID 11782370) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
PubChem CID11782370
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC3CCC(C)=CCC3(C)C)cc2c1
InChIInChI=1S/C20H26N2O2/c1-13-5-8-18(20(2,3)10-9-13)22-19(23)17-12-14-11-15(24-4)6-7-16(14)21-17/h6-7,9,11-12,18,21H,5,8,10H2,1-4H3,(H,22,23)
InChIKeyGGEBXMFXMDQUIT-UHFFFAOYSA-N
XLogP4.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
CID 4587719
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide (CID 11782370) is 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC3CCC(C)=CCC3(C)C)cc2c1.
What is the InChIKey of 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide?
The InChIKey is GGEBXMFXMDQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-5-8-18(20(2,3)10-9-13)22-19(23)17-12-14-11-15(24-4)6-7-16(14)21-17/h6-7,9,11-12,18,21H,5,8,10H2,1-4H3,(H,22,23).
What are the key properties of 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide?
5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2,2,5-trimethylcyclohept-4-en-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11782370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).