1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C14H24N2O3 — CID 71970570

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCCCOCC1CC1)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O3/c17-14(15-6-1-7-18-9-10-2-3-10)16-12-8-11-4-5-13(12)19-11/h10-13H,1-9H2,(H2,15,16,17)
InChIKeyNEKLUFQTXVJVRS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.42
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 71970570) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID71970570
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCCCOCC1CC1)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O3/c17-14(15-6-1-7-18-9-10-2-3-10)16-12-8-11-4-5-13(12)19-11/h10-13H,1-9H2,(H2,15,16,17)
InChIKeyNEKLUFQTXVJVRS-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 71970570) is 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCCCOCC1CC1)NC1CC2CCC1O2.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is NEKLUFQTXVJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-14(15-6-1-7-18-9-10-2-3-10)16-12-8-11-4-5-13(12)19-11/h10-13H,1-9H2,(H2,15,16,17).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 71970570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).