N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide

C22H28N2O3 — CID 75406097

IUPACN-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide
SMILESCOc1ccc2c(c1)CCN2C(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2
InChIInChI=1S/C22H28N2O3/c1-14(25)23-22-11-15-7-16(12-22)10-21(9-15,13-22)20(26)24-6-5-17-8-18(27-2)3-4-19(17)24/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,23,25)
InChIKeyIUOACIFRKJPPRY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.06
Rot. Bonds3

About N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide

N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide (PubChem CID 75406097) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide
PubChem CID75406097
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide
SMILESCOc1ccc2c(c1)CCN2C(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2
InChIInChI=1S/C22H28N2O3/c1-14(25)23-22-11-15-7-16(12-22)10-21(9-15,13-22)20(26)24-6-5-17-8-18(27-2)3-4-19(17)24/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,23,25)
InChIKeyIUOACIFRKJPPRY-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98422119
3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
CID 16765908
N-[(5S,7S)-3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide
CID 98215004
N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
CID 98138286
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42929684
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
CID 5296041
(5S,7R)-3-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyladamantane-1-carboxamide
CID 31147623
(5S,7S)-3-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyladamantane-1-carboxamide
CID 98368644
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide?
The IUPAC name of N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide (CID 75406097) is N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide?
The canonical SMILES for N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide is COc1ccc2c(c1)CCN2C(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2.
What is the InChIKey of N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide?
The InChIKey is IUOACIFRKJPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(25)23-22-11-15-7-16(12-22)10-21(9-15,13-22)20(26)24-6-5-17-8-18(27-2)3-4-19(17)24/h3-4,8,15-16H,5-7,9-13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide?
N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide is sourced from PubChem (CID 75406097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).