1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

C16H20N2O3 — CID 96530805

IUPAC1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1ccccc1[C@@H](O)CNC(=O)NCc1ccoc1C
InChIInChI=1S/C16H20N2O3/c1-11-5-3-4-6-14(11)15(19)10-18-16(20)17-9-13-7-8-21-12(13)2/h3-8,15,19H,9-10H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyUBBQBNFWDDBTCX-HNNXBMFYSA-N
MW288.35 g/mol
LogP2.43
Rot. Bonds5

About 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 96530805) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID96530805
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1ccccc1[C@@H](O)CNC(=O)NCc1ccoc1C
InChIInChI=1S/C16H20N2O3/c1-11-5-3-4-6-14(11)15(19)10-18-16(20)17-9-13-7-8-21-12(13)2/h3-8,15,19H,9-10H2,1-2H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyUBBQBNFWDDBTCX-HNNXBMFYSA-N
XLogP2.43
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483103
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
CID 111119604
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
(2-methylfuran-3-yl)methylurea
CID 130639643

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (CID 96530805) is 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is Cc1ccccc1[C@@H](O)CNC(=O)NCc1ccoc1C.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is UBBQBNFWDDBTCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-3-4-6-14(11)15(19)10-18-16(20)17-9-13-7-8-21-12(13)2/h3-8,15,19H,9-10H2,1-2H3,(H2,17,18,20)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 288.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 96530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).