1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one

C19H25N3O3 — CID 56875042

IUPAC1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCO3)CC2)cc1N1CCNC1=O
InChIInChI=1S/C19H25N3O3/c1-14-3-4-15(13-16(14)22-11-8-20-18(22)24)17(23)21-9-6-19(7-10-21)5-2-12-25-19/h3-4,13H,2,5-12H2,1H3,(H,20,24)
InChIKeyROBROKIHXRDJOQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one

1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one (PubChem CID 56875042) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
PubChem CID56875042
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCO3)CC2)cc1N1CCNC1=O
InChIInChI=1S/C19H25N3O3/c1-14-3-4-15(13-16(14)22-11-8-20-18(22)24)17(23)21-9-6-19(7-10-21)5-2-12-25-19/h3-4,13H,2,5-12H2,1H3,(H,20,24)
InChIKeyROBROKIHXRDJOQ-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 72910098
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 157016998
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159563
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70714708
(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97449214

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one (CID 56875042) is 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one is Cc1ccc(C(=O)N2CCC3(CCCO3)CC2)cc1N1CCNC1=O.
What is the InChIKey of 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one?
The InChIKey is ROBROKIHXRDJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-3-4-15(13-16(14)22-11-8-20-18(22)24)17(23)21-9-6-19(7-10-21)5-2-12-25-19/h3-4,13H,2,5-12H2,1H3,(H,20,24).
What are the key properties of 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one?
1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 56875042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).