1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea

C10H22N2O2 — CID 97028932

IUPAC1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
SMILESCCNC(=O)N[C@H](C)COCC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-11-10(13)12-9(4)7-14-6-8(2)3/h8-9H,5-7H2,1-4H3,(H2,11,12,13)/t9-/m1/s1
InChIKeySIJLTFXNBHVNLW-SECBINFHSA-N
MW202.30 g/mol
LogP1.37
Rot. Bonds6

About 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea

1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea (PubChem CID 97028932) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
PubChem CID97028932
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
SMILESCCNC(=O)N[C@H](C)COCC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-11-10(13)12-9(4)7-14-6-8(2)3/h8-9H,5-7H2,1-4H3,(H2,11,12,13)/t9-/m1/s1
InChIKeySIJLTFXNBHVNLW-SECBINFHSA-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea (CID 97028932) is 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea is CCNC(=O)N[C@H](C)COCC(C)C.
What is the InChIKey of 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea?
The InChIKey is SIJLTFXNBHVNLW-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-11-10(13)12-9(4)7-14-6-8(2)3/h8-9H,5-7H2,1-4H3,(H2,11,12,13)/t9-/m1/s1.
What are the key properties of 1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea?
1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]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-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea is sourced from PubChem (CID 97028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).