1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C16H24N2O3 — CID 111479690

IUPAC1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NC(C2CC2)C2CC2)o1
InChIInChI=1S/C16H24N2O3/c1-10-3-8-13(21-10)16(2,20)9-17-15(19)18-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,20H,4-7,9H2,1-2H3,(H2,17,18,19)
InChIKeyLUXZTQDMFDALEC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.28
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111479690) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111479690
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NC(C2CC2)C2CC2)o1
InChIInChI=1S/C16H24N2O3/c1-10-3-8-13(21-10)16(2,20)9-17-15(19)18-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,20H,4-7,9H2,1-2H3,(H2,17,18,19)
InChIKeyLUXZTQDMFDALEC-UHFFFAOYSA-N
XLogP2.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methylcyclopentyl)urea
CID 71869890
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(1S,2S)-2-methylcyclopentyl]urea
CID 96518695
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111504080
2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-[[(2S)-1-ethylpiperidin-2-yl]methyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 100859336
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111479690) is 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)NC(C2CC2)C2CC2)o1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is LUXZTQDMFDALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-3-8-13(21-10)16(2,20)9-17-15(19)18-14(11-4-5-11)12-6-7-12/h3,8,11-12,14,20H,4-7,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111479690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).