1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea

C11H18N2O3 — CID 111470946

IUPAC1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccco1
InChIInChI=1S/C11H18N2O3/c1-9(4-5-14)7-12-11(15)13-8-10-3-2-6-16-10/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,12,13,15)
InChIKeyVIQQDOYMGOABGC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.10
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea

1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111470946) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111470946
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccco1
InChIInChI=1S/C11H18N2O3/c1-9(4-5-14)7-12-11(15)13-8-10-3-2-6-16-10/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,12,13,15)
InChIKeyVIQQDOYMGOABGC-UHFFFAOYSA-N
XLogP1.10
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550
1-(2,2-diethyl-4-hydroxybutyl)-3-(furan-2-ylmethyl)urea
CID 111499070
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111504775

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111470946) is 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is VIQQDOYMGOABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(4-5-14)7-12-11(15)13-8-10-3-2-6-16-10/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 226.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111470946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).