1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

C16H28N2O4 — CID 111507646

IUPAC1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCc1ccc(C(COC)NC(=O)NCC(O)C(C)(C)C)o1
InChIInChI=1S/C16H28N2O4/c1-6-11-7-8-13(22-11)12(10-21-5)18-15(20)17-9-14(19)16(2,3)4/h7-8,12,14,19H,6,9-10H2,1-5H3,(H2,17,18,20)
InChIKeyVFHSTQBTLULNNG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.24
Rot. Bonds7

About 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111507646) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111507646
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCc1ccc(C(COC)NC(=O)NCC(O)C(C)(C)C)o1
InChIInChI=1S/C16H28N2O4/c1-6-11-7-8-13(22-11)12(10-21-5)18-15(20)17-9-14(19)16(2,3)4/h7-8,12,14,19H,6,9-10H2,1-5H3,(H2,17,18,20)
InChIKeyVFHSTQBTLULNNG-UHFFFAOYSA-N
XLogP2.24
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
CID 120637446
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
CID 124844778
2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119138904
1-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-(3-hydroxypropyl)urea
CID 111175801
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
CID 99846943
1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
CID 166220168

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111507646) is 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is CCc1ccc(C(COC)NC(=O)NCC(O)C(C)(C)C)o1.
What is the InChIKey of 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is VFHSTQBTLULNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-6-11-7-8-13(22-11)12(10-21-5)18-15(20)17-9-14(19)16(2,3)4/h7-8,12,14,19H,6,9-10H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 312.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111507646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).