1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea

C21H32N4O2 — CID 72904104

IUPAC1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
SMILESCN1CC(c2ccccc2)CC2(CCN(C(=O)CNC(=O)N(C)C)CC2)C1
InChIInChI=1S/C21H32N4O2/c1-23(2)20(27)22-14-19(26)25-11-9-21(10-12-25)13-18(15-24(3)16-21)17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,27)
InChIKeyNBBSXQFYRUKJFE-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.99
Rot. Bonds3

About 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea

1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea (PubChem CID 72904104) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
PubChem CID72904104
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
SMILESCN1CC(c2ccccc2)CC2(CCN(C(=O)CNC(=O)N(C)C)CC2)C1
InChIInChI=1S/C21H32N4O2/c1-23(2)20(27)22-14-19(26)25-11-9-21(10-12-25)13-18(15-24(3)16-21)17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,27)
InChIKeyNBBSXQFYRUKJFE-UHFFFAOYSA-N
XLogP1.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea with MolForge

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Related Compounds

1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
2-(N-methylanilino)-1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97444814
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
(1-ethyl-5-methylpyrazol-4-yl)-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97199126
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea (CID 72904104) is 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea is CN1CC(c2ccccc2)CC2(CCN(C(=O)CNC(=O)N(C)C)CC2)C1.
What is the InChIKey of 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
The InChIKey is NBBSXQFYRUKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-23(2)20(27)22-14-19(26)25-11-9-21(10-12-25)13-18(15-24(3)16-21)17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,27).
What are the key properties of 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea?
1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea has a molecular weight of 372.51 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea is sourced from PubChem (CID 72904104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).