1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea

C11H24N2O2 — CID 52576255

IUPAC1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea
SMILESCC(C)COCCCNC(=O)NC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)8-15-7-5-6-12-11(14)13-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyCDYLDLRMGNTWHX-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.76
Rot. Bonds7

About 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea

1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea (PubChem CID 52576255) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea
PubChem CID52576255
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea
SMILESCC(C)COCCCNC(=O)NC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)8-15-7-5-6-12-11(14)13-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyCDYLDLRMGNTWHX-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea (CID 52576255) is 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea is CC(C)COCCCNC(=O)NC(C)C.
What is the InChIKey of 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea?
The InChIKey is CDYLDLRMGNTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)8-15-7-5-6-12-11(14)13-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea?
1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea has a molecular weight of 216.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)propyl]-3-propan-2-ylurea is sourced from PubChem (CID 52576255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).