(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one

C15H22N2O2 — CID 101074839

IUPAC(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one
SMILESCC(=O)N1C[C@H](C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C15H22N2O2/c1-9(18)17-8-13(16-14(17)19)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13H,2-8H2,1H3,(H,16,19)/t10?,11?,12?,13-,15?/m1/s1
InChIKeyMEFNOPWWGJJHDV-OEXLFXSVSA-N
MW262.35 g/mol
LogP2.14
Rot. Bonds1

About (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one

(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one (PubChem CID 101074839) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one
PubChem CID101074839
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one
SMILESCC(=O)N1C[C@H](C23CC4CC(CC(C4)C2)C3)NC1=O
InChIInChI=1S/C15H22N2O2/c1-9(18)17-8-13(16-14(17)19)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13H,2-8H2,1H3,(H,16,19)/t10?,11?,12?,13-,15?/m1/s1
InChIKeyMEFNOPWWGJJHDV-OEXLFXSVSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
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1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
1-(adamantane-1-carbonyl)imidazolidin-2-one
CID 3238563
(2R)-2-(1-adamantyl)piperidine
CID 7236721
acetic acid;1-chloroadamantane
CID 175013443
acetic acid;adamantane-1-carboxylic acid
CID 67530595
methyl 5-(1-adamantyl)-1-oxo-1,4-thiazinane-3-carboxylate
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CID 156675738

Frequently Asked Questions

What is the IUPAC name of (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one?
The IUPAC name of (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one (CID 101074839) is (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one?
The canonical SMILES for (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one is CC(=O)N1C[C@H](C23CC4CC(CC(C4)C2)C3)NC1=O.
What is the InChIKey of (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one?
The InChIKey is MEFNOPWWGJJHDV-OEXLFXSVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(18)17-8-13(16-14(17)19)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-13H,2-8H2,1H3,(H,16,19)/t10?,11?,12?,13-,15?/m1/s1.
What are the key properties of (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one?
(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one is sourced from PubChem (CID 101074839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).