1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea

C15H24N2O2 — CID 99830823

IUPAC1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
SMILESCC[C@](C)(O)CN(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C15H24N2O2/c1-5-15(2,19)12-17(14(18)16(3)4)11-13-9-7-6-8-10-13/h6-10,19H,5,11-12H2,1-4H3/t15-/m0/s1
InChIKeyJGIIHYXVEKRSGD-HNNXBMFYSA-N
MW264.37 g/mol
LogP2.33
Rot. Bonds5

About 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea

1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea (PubChem CID 99830823) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
PubChem CID99830823
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
SMILESCC[C@](C)(O)CN(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C15H24N2O2/c1-5-15(2,19)12-17(14(18)16(3)4)11-13-9-7-6-8-10-13/h6-10,19H,5,11-12H2,1-4H3/t15-/m0/s1
InChIKeyJGIIHYXVEKRSGD-HNNXBMFYSA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-benzyl-N-[(2R)-2-hydroxy-2-methylbutyl]-1,2,5-thiadiazole-3-carboxamide
CID 99828131
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057
2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
[4-[[benzyl(dimethylcarbamoyl)amino]methyl]phenyl] methanesulfonate
CID 42776962
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 62679186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea?
The IUPAC name of 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea (CID 99830823) is 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea.
What is the SMILES notation for 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea?
The canonical SMILES for 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea is CC[C@](C)(O)CN(Cc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea?
The InChIKey is JGIIHYXVEKRSGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(2,19)12-17(14(18)16(3)4)11-13-9-7-6-8-10-13/h6-10,19H,5,11-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea?
1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea has a molecular weight of 264.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea is sourced from PubChem (CID 99830823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).