1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea

C17H22N2O3 — CID 95983781

IUPAC1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
SMILESC[C@@](O)(CNC(=O)NCCCc1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O3/c1-17(21,15-10-6-12-22-15)13-19-16(20)18-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,21H,5,9,11,13H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyMMVLSLFDRAUWLM-QGZVFWFLSA-N
MW302.37 g/mol
LogP2.42
Rot. Bonds7

About 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea

1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea (PubChem CID 95983781) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
PubChem CID95983781
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
SMILESC[C@@](O)(CNC(=O)NCCCc1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O3/c1-17(21,15-10-6-12-22-15)13-19-16(20)18-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,21H,5,9,11,13H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyMMVLSLFDRAUWLM-QGZVFWFLSA-N
XLogP2.42
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479609
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 111470868
3-hydroxy-3-methyl-4-(3-phenylpropylcarbamoylamino)butanoic acid
CID 66001412
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
CID 111480757
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111480872
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea (CID 95983781) is 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea is C[C@@](O)(CNC(=O)NCCCc1ccccc1)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea?
The InChIKey is MMVLSLFDRAUWLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(21,15-10-6-12-22-15)13-19-16(20)18-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,21H,5,9,11,13H2,1H3,(H2,18,19,20)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea?
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea has a molecular weight of 302.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 95983781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).