N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide

C20H27NO2 — CID 2953540

IUPACN-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
SMILESCOCCNC(=O)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H27NO2/c1-23-8-7-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H,21,22)
InChIKeySNSYKZCMGKQVPO-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.29
Rot. Bonds5

About N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide

N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide (PubChem CID 2953540) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
PubChem CID2953540
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
SMILESCOCCNC(=O)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H27NO2/c1-23-8-7-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H,21,22)
InChIKeySNSYKZCMGKQVPO-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
CID 24945642
N-phenethyladamantane-1-carboxamide
CID 2787235
N-Methyl-3-(4-methylphenyl)-1-adamantanecarboxamide
CID 614567
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N-2-adamantyl-3-phenylpropanamide
CID 874886
N-{[3-(4-methylphenyl)-1-adamantyl]carbonyl}glycine
CID 2770851
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
adamantanyl-N-(1-carbamoyl-2-phenylethyl)carboxamide
CID 2973493
Methyl 2-(adamantanylcarbonylamino)-3-phenylpropanoate
CID 466382
4-{[3-(4-Methylphenyl)-1-adamantyl]carbonyl}morpholine
CID 2835990
N-(4-phenylbutyl)adamantane-1-carboxamide
CID 2841743
1-(3-Phenyladamantane-1-carbonyl)piperidine
CID 2953793

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide (CID 2953540) is N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide is COCCNC(=O)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The InChIKey is SNSYKZCMGKQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-8-7-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 2953540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).