1-(3-methoxypropyl)-3-propan-2-ylurea

C8H18N2O2 — CID 108896124

IUPAC1-(3-methoxypropyl)-3-propan-2-ylurea
SMILESCOCCCNC(=O)NC(C)C
InChIInChI=1S/C8H18N2O2/c1-7(2)10-8(11)9-5-4-6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyRSNBXZGDJLBPRF-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.73
Rot. Bonds5

About 1-(3-methoxypropyl)-3-propan-2-ylurea

1-(3-methoxypropyl)-3-propan-2-ylurea (PubChem CID 108896124) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-propan-2-ylurea
PubChem CID108896124
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(3-methoxypropyl)-3-propan-2-ylurea
SMILESCOCCCNC(=O)NC(C)C
InChIInChI=1S/C8H18N2O2/c1-7(2)10-8(11)9-5-4-6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyRSNBXZGDJLBPRF-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.73
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-methoxypropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(3-methoxypropyl)-3-propan-2-ylurea (CID 108896124) is 1-(3-methoxypropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(3-methoxypropyl)-3-propan-2-ylurea is COCCCNC(=O)NC(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-3-propan-2-ylurea?
The InChIKey is RSNBXZGDJLBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2)10-8(11)9-5-4-6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(3-methoxypropyl)-3-propan-2-ylurea?
1-(3-methoxypropyl)-3-propan-2-ylurea has a molecular weight of 174.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-propan-2-ylurea is sourced from PubChem (CID 108896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).