N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide

C21H28N2O2 — CID 17168267

IUPACN-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O2/c1-14(24)22-16-5-4-6-17(7-16)23-18(25)21-10-15-8-19(2,12-21)11-20(3,9-15)13-21/h4-7,15H,8-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNMVCOPKGWDXXCW-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.58
Rot. Bonds3

About N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide

N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 17168267) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID17168267
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O2/c1-14(24)22-16-5-4-6-17(7-16)23-18(25)21-10-15-8-19(2,12-21)11-20(3,9-15)13-21/h4-7,15H,8-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNMVCOPKGWDXXCW-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 112837499
3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide
CID 112791210
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyladamantane-1-carboxamide
CID 4146220
3,5-dimethyl-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide
CID 6469518
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 136963161
(3R,5R)-3,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)adamantane-1-carboxamide
CID 98328149
(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 2130210
N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
3,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]adamantane-1-carboxamide
CID 112819409

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide (CID 17168267) is N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is NMVCOPKGWDXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(24)22-16-5-4-6-17(7-16)23-18(25)21-10-15-8-19(2,12-21)11-20(3,9-15)13-21/h4-7,15H,8-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide?
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 17168267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).