1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea

C11H20N2O2 — CID 97028885

IUPAC1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCNC(=O)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C11H20N2O2/c1-2-12-11(14)13(10-3-4-10)7-9-5-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyFKLVRXWTELQBQQ-SECBINFHSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds4

About 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea

1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 97028885) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID97028885
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCNC(=O)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C11H20N2O2/c1-2-12-11(14)13(10-3-4-10)7-9-5-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyFKLVRXWTELQBQQ-SECBINFHSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
CID 78891727
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
4-amino-N-cyclopropyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)butanamide
CID 114285592
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963767

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 97028885) is 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea is CCNC(=O)N(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is FKLVRXWTELQBQQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-12-11(14)13(10-3-4-10)7-9-5-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea?
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 212.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 97028885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).