1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea

C14H28N2O3 — CID 91914965

IUPAC1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-12(2)15-13(17)16(7-10-18-4)11-14(3)5-8-19-9-6-14/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyFFGRQZWPJXXUNM-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea

1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea (PubChem CID 91914965) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea
PubChem CID91914965
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-12(2)15-13(17)16(7-10-18-4)11-14(3)5-8-19-9-6-14/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyFFGRQZWPJXXUNM-UHFFFAOYSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea (CID 91914965) is 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea is COCCN(CC1(C)CCOCC1)C(=O)NC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea?
The InChIKey is FFGRQZWPJXXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(2)15-13(17)16(7-10-18-4)11-14(3)5-8-19-9-6-14/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea?
1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea has a molecular weight of 272.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 91914965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).