1,3-dimethyl-1-(oxolan-2-ylmethyl)urea

C8H16N2O2 — CID 115590472

IUPAC1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
SMILESCNC(=O)N(C)CC1CCCO1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)10(2)6-7-4-3-5-12-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyOEFMXQQAZNTMIA-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea

1,3-dimethyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 115590472) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
PubChem CID115590472
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
SMILESCNC(=O)N(C)CC1CCCO1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)10(2)6-7-4-3-5-12-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyOEFMXQQAZNTMIA-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
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
2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435881
3-methyl-3-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64701256
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
2-[1-[[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163231
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
3-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea (CID 115590472) is 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea is CNC(=O)N(C)CC1CCCO1.
What is the InChIKey of 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is OEFMXQQAZNTMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(11)10(2)6-7-4-3-5-12-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea?
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 115590472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).