1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

C10H20N2O2 — CID 110749026

IUPAC1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyIYXUBJVRYALFPV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds3

About 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (PubChem CID 110749026) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
PubChem CID110749026
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyIYXUBJVRYALFPV-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82848497
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylthiourea
CID 115594187
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (CID 110749026) is 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)N(C)CC1CCCO1.
What is the InChIKey of 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The InChIKey is IYXUBJVRYALFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-10(13)12(3)7-9-5-4-6-14-9/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea has a molecular weight of 200.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 110749026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).