N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide

C24H35NO3 — CID 112837499

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C24H35NO3/c1-4-27-8-9-28-14-18-6-5-7-20(10-18)25-21(26)24-13-19-11-22(2,16-24)15-23(3,12-19)17-24/h5-7,10,19H,4,8-9,11-17H2,1-3H3,(H,25,26)
InChIKeyMYKAZGFOLAUKBT-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.17
Rot. Bonds8

About N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 112837499) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID112837499
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1
InChIInChI=1S/C24H35NO3/c1-4-27-8-9-28-14-18-6-5-7-20(10-18)25-21(26)24-13-19-11-22(2,16-24)15-23(3,12-19)17-24/h5-7,10,19H,4,8-9,11-17H2,1-3H3,(H,25,26)
InChIKeyMYKAZGFOLAUKBT-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 136963161
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
(2S,3aR,7aS)-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 97235183
N-[3-(1-adamantylmethyl)phenyl]adamantane-1-carboxamide
CID 171577019
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
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722905

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide (CID 112837499) is N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide is CCOCCOCc1cccc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is MYKAZGFOLAUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-4-27-8-9-28-14-18-6-5-7-20(10-18)25-21(26)24-13-19-11-22(2,16-24)15-23(3,12-19)17-24/h5-7,10,19H,4,8-9,11-17H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 112837499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).