1-methoxy-3-(3-methoxycyclopentyl)urea

C8H16N2O3 — CID 131201324

IUPAC1-methoxy-3-(3-methoxycyclopentyl)urea
SMILESCONC(=O)NC1CCC(OC)C1
InChIInChI=1S/C8H16N2O3/c1-12-7-4-3-6(5-7)9-8(11)10-13-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyCNXKWJRWVAXBSQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.41
Rot. Bonds3

About 1-methoxy-3-(3-methoxycyclopentyl)urea

1-methoxy-3-(3-methoxycyclopentyl)urea (PubChem CID 131201324) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxycyclopentyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxycyclopentyl)urea
PubChem CID131201324
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-methoxy-3-(3-methoxycyclopentyl)urea
SMILESCONC(=O)NC1CCC(OC)C1
InChIInChI=1S/C8H16N2O3/c1-12-7-4-3-6(5-7)9-8(11)10-13-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyCNXKWJRWVAXBSQ-UHFFFAOYSA-N
XLogP0.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
1-butyl-3-(3-methoxycyclopentyl)urea
CID 103082290
1-(4-fluorocyclohexyl)-3-methoxyurea
CID 130657399
1-cycloheptyl-3-methoxyurea
CID 126986046
4-amino-2-[(3-methoxycyclopentyl)carbamoylamino]-4-oxobutanoic acid
CID 114118253
N-(3-methoxycyclopentyl)butanamide
CID 103082475
1-[(1R,3S)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100690924
1-[(1S,3R)-3-methoxycyclopentyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 129434643
1-methoxy-3-(4-methylidenecyclohexyl)urea
CID 91252430
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxycyclopentyl)urea?
The IUPAC name of 1-methoxy-3-(3-methoxycyclopentyl)urea (CID 131201324) is 1-methoxy-3-(3-methoxycyclopentyl)urea.
What is the SMILES notation for 1-methoxy-3-(3-methoxycyclopentyl)urea?
The canonical SMILES for 1-methoxy-3-(3-methoxycyclopentyl)urea is CONC(=O)NC1CCC(OC)C1.
What is the InChIKey of 1-methoxy-3-(3-methoxycyclopentyl)urea?
The InChIKey is CNXKWJRWVAXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-7-4-3-6(5-7)9-8(11)10-13-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-methoxy-3-(3-methoxycyclopentyl)urea?
1-methoxy-3-(3-methoxycyclopentyl)urea has a molecular weight of 188.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxycyclopentyl)urea is sourced from PubChem (CID 131201324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).