1-butyl-3-[1-(furan-2-yl)ethyl]urea

C11H18N2O2 — CID 47113388

IUPAC1-butyl-3-[1-(furan-2-yl)ethyl]urea
SMILESCCCCNC(=O)NC(C)c1ccco1
InChIInChI=1S/C11H18N2O2/c1-3-4-7-12-11(14)13-9(2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyMOIFTHQLLPBYOH-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.44
Rot. Bonds5

About 1-butyl-3-[1-(furan-2-yl)ethyl]urea

1-butyl-3-[1-(furan-2-yl)ethyl]urea (PubChem CID 47113388) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-butyl-3-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-(furan-2-yl)ethyl]urea
PubChem CID47113388
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-butyl-3-[1-(furan-2-yl)ethyl]urea
SMILESCCCCNC(=O)NC(C)c1ccco1
InChIInChI=1S/C11H18N2O2/c1-3-4-7-12-11(14)13-9(2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyMOIFTHQLLPBYOH-UHFFFAOYSA-N
XLogP2.44
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.44
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-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-butyl-3-[1-(furan-2-yl)ethyl]urea (CID 47113388) is 1-butyl-3-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-butyl-3-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-butyl-3-[1-(furan-2-yl)ethyl]urea is CCCCNC(=O)NC(C)c1ccco1.
What is the InChIKey of 1-butyl-3-[1-(furan-2-yl)ethyl]urea?
The InChIKey is MOIFTHQLLPBYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-4-7-12-11(14)13-9(2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-[1-(furan-2-yl)ethyl]urea?
1-butyl-3-[1-(furan-2-yl)ethyl]urea has a molecular weight of 210.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 47113388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).