1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea

C14H26N2O3 — CID 91662438

IUPAC1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea
SMILESCCOC1CC(O)(CNC(=O)NCC2CC2)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-4-19-11-7-14(18,13(11,2)3)9-16-12(17)15-8-10-5-6-10/h10-11,18H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyNYFYVHHWXUPHDK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.26
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea

1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea (PubChem CID 91662438) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea
PubChem CID91662438
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea
SMILESCCOC1CC(O)(CNC(=O)NCC2CC2)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-4-19-11-7-14(18,13(11,2)3)9-16-12(17)15-8-10-5-6-10/h10-11,18H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyNYFYVHHWXUPHDK-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea (CID 91662438) is 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea is CCOC1CC(O)(CNC(=O)NCC2CC2)C1(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea?
The InChIKey is NYFYVHHWXUPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-11-7-14(18,13(11,2)3)9-16-12(17)15-8-10-5-6-10/h10-11,18H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea?
1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]urea is sourced from PubChem (CID 91662438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).