1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

C12H24N2O2 — CID 79255042

IUPAC1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(8-15)14-12(16)13-10-6-4-3-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m1/s1
InChIKeySJBZAGPXDQNFRV-LLVKDONJSA-N
MW228.34 g/mol
LogP1.64
Rot. Bonds4

About 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (PubChem CID 79255042) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
PubChem CID79255042
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)11(8-15)14-12(16)13-10-6-4-3-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m1/s1
InChIKeySJBZAGPXDQNFRV-LLVKDONJSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79256331
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (CID 79255042) is 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is CC(C)[C@@H](CO)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The InChIKey is SJBZAGPXDQNFRV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)11(8-15)14-12(16)13-10-6-4-3-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea has a molecular weight of 228.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is sourced from PubChem (CID 79255042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).