N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide

C23H32N2O3 — CID 112846085

IUPACN-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O3/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)20(27)25-9-8-24-19(26)17-4-6-18(28-3)7-5-17/h4-7,16H,8-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFYBQQXUMCSFSHM-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide

N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 112846085) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID112846085
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O3/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)20(27)25-9-8-24-19(26)17-4-6-18(28-3)7-5-17/h4-7,16H,8-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFYBQQXUMCSFSHM-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
CID 112837522
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621809
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 112843362
N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
CID 55878815
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide (CID 112846085) is N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide is COc1ccc(C(=O)NCCNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is FYBQQXUMCSFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)20(27)25-9-8-24-19(26)17-4-6-18(28-3)7-5-17/h4-7,16H,8-15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide?
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 112846085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).