2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide

C19H30N2O3 — CID 111539328

IUPAC2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC1(O)CCC1
InChIInChI=1S/C19H30N2O3/c22-16(20-11-17(23)21-12-19(24)2-1-3-19)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h13-15,24H,1-12H2,(H,20,22)(H,21,23)
InChIKeyJEHKKXYKDYQZIY-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.74
Rot. Bonds6

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

2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 111539328) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
PubChem CID111539328
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC1(O)CCC1
InChIInChI=1S/C19H30N2O3/c22-16(20-11-17(23)21-12-19(24)2-1-3-19)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h13-15,24H,1-12H2,(H,20,22)(H,21,23)
InChIKeyJEHKKXYKDYQZIY-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
CID 100734323
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033
2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
CID 166261569
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
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-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]acetamide
CID 131907539

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide (CID 111539328) is 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC1(O)CCC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is JEHKKXYKDYQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-16(20-11-17(23)21-12-19(24)2-1-3-19)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h13-15,24H,1-12H2,(H,20,22)(H,21,23).
What are the key properties of 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 111539328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).