1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea

C16H24N4O2 — CID 110666800

IUPAC1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
SMILESCC(C)(C)CNC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)11-18-14(21)19-12-5-7-13(8-6-12)20-10-4-9-17-15(20)22/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H2,18,19,21)
InChIKeyYCTHSMXRVOHMAR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.77
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea

1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea (PubChem CID 110666800) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
PubChem CID110666800
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
SMILESCC(C)(C)CNC(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)11-18-14(21)19-12-5-7-13(8-6-12)20-10-4-9-17-15(20)22/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H2,18,19,21)
InChIKeyYCTHSMXRVOHMAR-UHFFFAOYSA-N
XLogP2.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110673110
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
CID 110666721
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea (CID 110666800) is 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea is CC(C)(C)CNC(=O)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The InChIKey is YCTHSMXRVOHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)11-18-14(21)19-12-5-7-13(8-6-12)20-10-4-9-17-15(20)22/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H2,18,19,21).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea?
1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea is sourced from PubChem (CID 110666800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).