1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea

C12H24N2O — CID 124715194

IUPAC1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C12H24N2O/c1-4-10(3)13-12(15)14-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyNZTAKZCQLDQXAZ-OUAUKWLOSA-N
MW212.34 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea

1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea (PubChem CID 124715194) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
PubChem CID124715194
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C12H24N2O/c1-4-10(3)13-12(15)14-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyNZTAKZCQLDQXAZ-OUAUKWLOSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-butan-2-yl-3-cyclopropylurea
CID 45366532
(2S)-3-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]butanoate
CID 6956411
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea (CID 124715194) is 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea is CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
The InChIKey is NZTAKZCQLDQXAZ-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(3)13-12(15)14-11-8-6-5-7-9(11)2/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea?
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea has a molecular weight of 212.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 124715194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).