N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide

C21H28N2O3 — CID 32937893

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O3/c1-2-22-19(24)13-26-18-5-3-17(4-6-18)23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYEQLXJLOPNFBV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide (PubChem CID 32937893) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
PubChem CID32937893
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O3/c1-2-22-19(24)13-26-18-5-3-17(4-6-18)23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYEQLXJLOPNFBV-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
2-(cyclopropylmethylamino)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119713365
1-(4-bromophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxamide
CID 32941075
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
CID 108539727
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787396
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide (CID 32937893) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide is CCNC(=O)COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide?
The InChIKey is HYEQLXJLOPNFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-22-19(24)13-26-18-5-3-17(4-6-18)23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 32937893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).