N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide

C21H28N2O3 — CID 24686599

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-13-4-3-5-14(2)18(13)23-17(24)11-22-19(25)20-7-15-6-16(8-20)10-21(26,9-15)12-20/h3-5,15-16,26H,6-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyTXMKYGVTSCTMJN-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide (PubChem CID 24686599) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
PubChem CID24686599
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H28N2O3/c1-13-4-3-5-14(2)18(13)23-17(24)11-22-19(25)20-7-15-6-16(8-20)10-21(26,9-15)12-20/h3-5,15-16,26H,6-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyTXMKYGVTSCTMJN-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
CID 71719542
3-hydroxy-N-(1-phenylethyl)adamantane-1-carboxamide
CID 4877155
3-acetamido-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]adamantane-1-carboxamide
CID 25162166
2-(adamantanylcarbonylamino)-3-phenyl-N-phenylpropanamide
CID 2982669
(S)-2-amino-1-(2,3-dihydro-indol-1-yl)-2-(3-hydroxy-adamantan-1-yl)-ethanone
CID 44433962
N-[1-(2-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 2882439
2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
CID 2946968
2-(adamantanylcarbonylamino)-3-methyl-N-phenylbutanamide
CID 2983619
N-(2,5-dimethylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 4007957
N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 3873265
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 17466246
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methyl-2-[3-(trifluoromethyl)anilino]propanamide
CID 59684666

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide (CID 24686599) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide?
The InChIKey is TXMKYGVTSCTMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13-4-3-5-14(2)18(13)23-17(24)11-22-19(25)20-7-15-6-16(8-20)10-21(26,9-15)12-20/h3-5,15-16,26H,6-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 24686599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).