3-methoxypropylurea

C5H12N2O2 — CID 2064040

IUPAC3-methoxypropylurea
SMILESCOCCCNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-9-4-2-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeySJCBTGYXKOFNHX-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.31
Rot. Bonds4

About 3-methoxypropylurea

3-methoxypropylurea (PubChem CID 2064040) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-methoxypropylurea.

Molecular Properties

Compound Name3-methoxypropylurea
PubChem CID2064040
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-methoxypropylurea
SMILESCOCCCNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-9-4-2-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeySJCBTGYXKOFNHX-UHFFFAOYSA-N
XLogP-0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.31
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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Related Compounds

3-[2-methoxyethoxy(methyl)silyl]propylurea
CID 123422782
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581
3-butoxypropylurea
CID 115575573
N'-(3-methoxypropyl)decanediamide
CID 89083408
carbamothioic S-acid;O-methyl N-(3-methoxypropyl)carbamothioate
CID 88720179
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893
2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
CID 112673851
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropylurea?
The IUPAC name of 3-methoxypropylurea (CID 2064040) is 3-methoxypropylurea.
What is the SMILES notation for 3-methoxypropylurea?
The canonical SMILES for 3-methoxypropylurea is COCCCNC(N)=O.
What is the InChIKey of 3-methoxypropylurea?
The InChIKey is SJCBTGYXKOFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-9-4-2-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8).
What are the key properties of 3-methoxypropylurea?
3-methoxypropylurea has a molecular weight of 132.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropylurea is sourced from PubChem (CID 2064040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).