N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide

C20H24N2O2 — CID 4910689

IUPACN-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2c1
InChIInChI=1S/C20H24N2O2/c1-24-16-3-2-15-7-18(21-17(15)8-16)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h2-3,7-8,12-14,21H,4-6,9-11H2,1H3,(H,22,23)
InChIKeyOPLKWPSVTDQTQN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.88
Rot. Bonds3

About N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide

N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 4910689) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID4910689
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2c1
InChIInChI=1S/C20H24N2O2/c1-24-16-3-2-15-7-18(21-17(15)8-16)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h2-3,7-8,12-14,21H,4-6,9-11H2,1H3,(H,22,23)
InChIKeyOPLKWPSVTDQTQN-UHFFFAOYSA-N
XLogP3.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Koeniginequinone A
CID 11264975
6-methoxy-1H-indole-2-carboxylic acid
CID 410327
D-64131
CID 3921152
Bis(1H-2-indolyl)methanone 12
CID 5330528
(6S)-6-benzyl-4-(5-cyclopropyl-1H-indole-2-carbonyl)-1-[(2-methoxyphenyl)methyl]piperazin-2-one
CID 122600761
N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 4355644
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
Clauszoline K
CID 10537169
1H-Indole-2-carboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071647
(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
CID 134812733
Indolin-2-one deriv. 4e
CID 5329158
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-6-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 9916347

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide (CID 4910689) is N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2c1.
What is the InChIKey of N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is OPLKWPSVTDQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-16-3-2-15-7-18(21-17(15)8-16)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h2-3,7-8,12-14,21H,4-6,9-11H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide?
N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 4910689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).