1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

C15H26N2O3 — CID 111507357

IUPAC1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCCN(Cc1ccoc1)C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C15H26N2O3/c1-5-17(9-13-6-7-20-10-13)14(19)16-11-15(3,4)8-12(2)18/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,16,19)
InChIKeyLVDHNDDKIHXJMK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds7

About 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 111507357) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
PubChem CID111507357
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCCN(Cc1ccoc1)C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C15H26N2O3/c1-5-17(9-13-6-7-20-10-13)14(19)16-11-15(3,4)8-12(2)18/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,16,19)
InChIKeyLVDHNDDKIHXJMK-UHFFFAOYSA-N
XLogP2.61
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-methyl-1-phenylpropyl)urea
CID 111507458
5-acetyl-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269988
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)-1-methylurea
CID 111619012
1-[(4-cyanophenyl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)-1-methylurea
CID 111507342
1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 56789155
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(1-thiophen-3-ylpropan-2-yl)urea
CID 111631166
1-ethyl-1-(furan-3-ylmethyl)-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95281147
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
5-(2-bromoacetyl)-N-ethyl-N-(furan-3-ylmethyl)furan-2-carboxamide
CID 21269978

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (CID 111507357) is 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is CCN(Cc1ccoc1)C(=O)NCC(C)(C)CC(C)O.
What is the InChIKey of 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is LVDHNDDKIHXJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(9-13-6-7-20-10-13)14(19)16-11-15(3,4)8-12(2)18/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,16,19).
What are the key properties of 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 282.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-3-ylmethyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 111507357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).