1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

C18H31N3O3 — CID 111796089

IUPAC1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NC2CCCC(N(C)C)C2)c(C)o1
InChIInChI=1S/C18H31N3O3/c1-12-9-16(13(2)24-12)18(3,23)11-19-17(22)20-14-7-6-8-15(10-14)21(4)5/h9,14-15,23H,6-8,10-11H2,1-5H3,(H2,19,20,22)
InChIKeyCTUDEPADUCUOMH-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.28
Rot. Bonds5

About 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea

1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (PubChem CID 111796089) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
PubChem CID111796089
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
SMILESCc1cc(C(C)(O)CNC(=O)NC2CCCC(N(C)C)C2)c(C)o1
InChIInChI=1S/C18H31N3O3/c1-12-9-16(13(2)24-12)18(3,23)11-19-17(22)20-14-7-6-8-15(10-14)21(4)5/h9,14-15,23H,6-8,10-11H2,1-5H3,(H2,19,20,22)
InChIKeyCTUDEPADUCUOMH-UHFFFAOYSA-N
XLogP2.28
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111796119
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111479112
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 96518439
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111479151

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea (CID 111796089) is 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is Cc1cc(C(C)(O)CNC(=O)NC2CCCC(N(C)C)C2)c(C)o1.
What is the InChIKey of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
The InChIKey is CTUDEPADUCUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12-9-16(13(2)24-12)18(3,23)11-19-17(22)20-14-7-6-8-15(10-14)21(4)5/h9,14-15,23H,6-8,10-11H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea?
1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea has a molecular weight of 337.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111796089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).