1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea

C14H29N3O2 — CID 84593073

IUPAC1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
SMILESCC(C)N(C)CCNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-12(2)16(3)8-7-15-14(18)17(4)11-13-5-9-19-10-6-13/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyIBTZNEYRCKXFCW-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.39
Rot. Bonds6

About 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea

1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea (PubChem CID 84593073) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
PubChem CID84593073
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
SMILESCC(C)N(C)CCNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-12(2)16(3)8-7-15-14(18)17(4)11-13-5-9-19-10-6-13/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyIBTZNEYRCKXFCW-UHFFFAOYSA-N
XLogP1.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea (CID 84593073) is 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea is CC(C)N(C)CCNC(=O)N(C)CC1CCOCC1.
What is the InChIKey of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea?
The InChIKey is IBTZNEYRCKXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)16(3)8-7-15-14(18)17(4)11-13-5-9-19-10-6-13/h12-13H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea?
1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea has a molecular weight of 271.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 84593073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).