1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea

C15H26N2O4 — CID 111480769

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
SMILESCC(C)COCC(C)NC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H26N2O4/c1-11(2)8-20-9-12(3)17-14(18)16-10-15(4,19)13-6-5-7-21-13/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18)
InChIKeySZCHXKGGNBKJGD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.85
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea (PubChem CID 111480769) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
PubChem CID111480769
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
SMILESCC(C)COCC(C)NC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H26N2O4/c1-11(2)8-20-9-12(3)17-14(18)16-10-15(4,19)13-6-5-7-21-13/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18)
InChIKeySZCHXKGGNBKJGD-UHFFFAOYSA-N
XLogP1.85
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(1S)-1-(2-methoxyphenyl)propyl]urea
CID 97219041
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea (CID 111480769) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea is CC(C)COCC(C)NC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea?
The InChIKey is SZCHXKGGNBKJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(2)8-20-9-12(3)17-14(18)16-10-15(4,19)13-6-5-7-21-13/h5-7,11-12,19H,8-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea has a molecular weight of 298.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea is sourced from PubChem (CID 111480769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).