2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide

C16H26N2O2 — CID 51163037

IUPAC2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c1-2-17-15(20)10-18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVRUYPHYCIVIJEH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 51163037) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID51163037
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c1-2-17-15(20)10-18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVRUYPHYCIVIJEH-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
CID 100734323
2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
CID 119477047
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
CID 166261569
2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
CID 27646790
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 51163037) is 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is VRUYPHYCIVIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-17-15(20)10-18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 51163037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).