1-(2-methoxyethyl)-3-pentan-3-ylurea

C9H20N2O2 — CID 108888239

IUPAC1-(2-methoxyethyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-8(5-2)11-9(12)10-6-7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyKIRXQTYFVXEWKE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds6

About 1-(2-methoxyethyl)-3-pentan-3-ylurea

1-(2-methoxyethyl)-3-pentan-3-ylurea (PubChem CID 108888239) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-pentan-3-ylurea
PubChem CID108888239
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(2-methoxyethyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-8(5-2)11-9(12)10-6-7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKeyKIRXQTYFVXEWKE-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.12
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

1-(1-cyanobutan-2-yl)-3-(2-methoxyethyl)urea
CID 75458286
1-(3-hydroxy-4-methylpentyl)-3-(1-methoxybutan-2-yl)urea
CID 111506608
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
1-(1,3-dihydroxypropan-2-yl)-3-[2-(2-methylpropylperoxy)ethyl]urea
CID 59197392

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-pentan-3-ylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-pentan-3-ylurea (CID 108888239) is 1-(2-methoxyethyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-pentan-3-ylurea is CCC(CC)NC(=O)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-pentan-3-ylurea?
The InChIKey is KIRXQTYFVXEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-8(5-2)11-9(12)10-6-7-13-3/h8H,4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(2-methoxyethyl)-3-pentan-3-ylurea?
1-(2-methoxyethyl)-3-pentan-3-ylurea has a molecular weight of 188.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-pentan-3-ylurea is sourced from PubChem (CID 108888239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).