1-methyl-1-(oxan-4-ylmethyl)-3-propylurea

C11H22N2O2 — CID 110752121

IUPAC1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
SMILESCCCNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-6-12-11(14)13(2)9-10-4-7-15-8-5-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQXIYGQODWYYWGA-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds4

About 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea

1-methyl-1-(oxan-4-ylmethyl)-3-propylurea (PubChem CID 110752121) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
PubChem CID110752121
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
SMILESCCCNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-6-12-11(14)13(2)9-10-4-7-15-8-5-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyQXIYGQODWYYWGA-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-methyl-1-(oxan-4-ylmethyl)-3-[(3S)-3-piperidin-1-ylbutyl]urea
CID 97351711
1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
CID 110874794
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea?
The IUPAC name of 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea (CID 110752121) is 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea?
The canonical SMILES for 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea is CCCNC(=O)N(C)CC1CCOCC1.
What is the InChIKey of 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea?
The InChIKey is QXIYGQODWYYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-12-11(14)13(2)9-10-4-7-15-8-5-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea?
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea has a molecular weight of 214.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-4-ylmethyl)-3-propylurea is sourced from PubChem (CID 110752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).