1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea

C11H18N2O3 — CID 51896438

IUPAC1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C11H18N2O3/c1-9(8-10-4-3-6-16-10)13-11(14)12-5-7-15-2/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyJZSYQTYCYCOTMR-VIFPVBQESA-N
MW226.28 g/mol
LogP1.16
Rot. Bonds6

About 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea

1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea (PubChem CID 51896438) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea
PubChem CID51896438
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C11H18N2O3/c1-9(8-10-4-3-6-16-10)13-11(14)12-5-7-15-2/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyJZSYQTYCYCOTMR-VIFPVBQESA-N
XLogP1.16
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.16
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-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea (CID 51896438) is 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)N[C@@H](C)Cc1ccco1.
What is the InChIKey of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea?
The InChIKey is JZSYQTYCYCOTMR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(8-10-4-3-6-16-10)13-11(14)12-5-7-15-2/h3-4,6,9H,5,7-8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea?
1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea has a molecular weight of 226.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 51896438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).