N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide

C20H27N3O3 — CID 9345285

IUPACN-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3/c1-26-17-5-3-2-4-16(17)21-12-18(24)22-19(25)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H2,22,23,24,25)
InChIKeyGCPSCWMMOBKGGS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.90
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide

N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide (PubChem CID 9345285) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
PubChem CID9345285
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3/c1-26-17-5-3-2-4-16(17)21-12-18(24)22-19(25)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H2,22,23,24,25)
InChIKeyGCPSCWMMOBKGGS-UHFFFAOYSA-N
XLogP2.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
1-(1-adamantyl)-3-[(1R,5S)-8-[(2-methoxyphenyl)carbamothioyl]-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 25414870
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
CID 60613258
N-(1-adamantylcarbamoyl)-2-(3,4-difluoroanilino)acetamide
CID 112799804
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
N-(1-adamantylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760377
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8551565
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
CID 34083092

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide (CID 9345285) is N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide?
The InChIKey is GCPSCWMMOBKGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-26-17-5-3-2-4-16(17)21-12-18(24)22-19(25)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide?
N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 9345285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).