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

C14H26N2O2 — CID 97079352

IUPAC1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC1CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)13-12(6-8-18-13)9-16-14(17)15-7-5-11-3-4-11/h10-13H,3-9H2,1-2H3,(H2,15,16,17)/t12-,13-/m0/s1
InChIKeyQUHOKTJTYNTTKZ-STQMWFEESA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds6

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

1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 97079352) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID97079352
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC1CC1
InChIInChI=1S/C14H26N2O2/c1-10(2)13-12(6-8-18-13)9-16-14(17)15-7-5-11-3-4-11/h10-13H,3-9H2,1-2H3,(H2,15,16,17)/t12-,13-/m0/s1
InChIKeyQUHOKTJTYNTTKZ-STQMWFEESA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442
1-[(3-methyloxetan-3-yl)methyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999461
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
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
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079359

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 97079352) is 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is QUHOKTJTYNTTKZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)13-12(6-8-18-13)9-16-14(17)15-7-5-11-3-4-11/h10-13H,3-9H2,1-2H3,(H2,15,16,17)/t12-,13-/m0/s1.
What are the key properties of 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 97079352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).