1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C12H24N2O2 — CID 128997473

IUPAC1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)11-10(5-6-16-11)7-13-12(15)14-9(3)4/h8-11H,5-7H2,1-4H3,(H2,13,14,15)/t10-,11-/m1/s1
InChIKeyGKHZBJNKOFRAHW-GHMZBOCLSA-N
MW228.34 g/mol
LogP1.76
Rot. Bonds4

About 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 128997473) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID128997473
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)11-10(5-6-16-11)7-13-12(15)14-9(3)4/h8-11H,5-7H2,1-4H3,(H2,13,14,15)/t10-,11-/m1/s1
InChIKeyGKHZBJNKOFRAHW-GHMZBOCLSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
1-[(3-methyloxetan-3-yl)methyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999461
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
N-[(2-propan-2-yloxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119819204
1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129331428
1-cyclohex-3-en-1-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129000272
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71977305
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71976469

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 128997473) is 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is GKHZBJNKOFRAHW-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)11-10(5-6-16-11)7-13-12(15)14-9(3)4/h8-11H,5-7H2,1-4H3,(H2,13,14,15)/t10-,11-/m1/s1.
What are the key properties of 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 228.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 128997473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).