3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea

C14H23N3O2 — CID 53184952

IUPAC3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-6-19-12-11(8-7-9-15-12)10-17(5)13(18)16-14(2,3)4/h7-9H,6,10H2,1-5H3,(H,16,18)
InChIKeyMTTYLLVREZGDNL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.42
Rot. Bonds4

About 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea

3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea (PubChem CID 53184952) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
PubChem CID53184952
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-6-19-12-11(8-7-9-15-12)10-17(5)13(18)16-14(2,3)4/h7-9H,6,10H2,1-5H3,(H,16,18)
InChIKeyMTTYLLVREZGDNL-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The IUPAC name of 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea (CID 53184952) is 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea.
What is the SMILES notation for 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The canonical SMILES for 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea is CCOc1ncccc1CN(C)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
The InChIKey is MTTYLLVREZGDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-19-12-11(8-7-9-15-12)10-17(5)13(18)16-14(2,3)4/h7-9H,6,10H2,1-5H3,(H,16,18).
What are the key properties of 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea?
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea has a molecular weight of 265.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea is sourced from PubChem (CID 53184952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).