1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea

C10H22N2O2 — CID 110610404

IUPAC1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea
SMILESCC(C)CNC(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-12-10(13)11-5-6-14-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeySSLRINHURYNZFB-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.37
Rot. Bonds6

About 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea

1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea (PubChem CID 110610404) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea
PubChem CID110610404
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea
SMILESCC(C)CNC(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-12-10(13)11-5-6-14-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeySSLRINHURYNZFB-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.37
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-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea (CID 110610404) is 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea is CC(C)CNC(=O)NCCOC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea?
The InChIKey is SSLRINHURYNZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)7-12-10(13)11-5-6-14-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea?
1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 110610404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).