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

C16H20N2O5 — CID 95983787

IUPAC1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCOc1cccc(NC(=O)NC[C@@](C)(O)c2ccco2)c1OC
InChIInChI=1S/C16H20N2O5/c1-16(20,13-8-5-9-23-13)10-17-15(19)18-11-6-4-7-12(21-2)14(11)22-3/h4-9,20H,10H2,1-3H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyRRWRYQFDUKBOFR-MRXNPFEDSA-N
MW320.35 g/mol
LogP2.33
Rot. Bonds6

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

1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 95983787) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID95983787
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCOc1cccc(NC(=O)NC[C@@](C)(O)c2ccco2)c1OC
InChIInChI=1S/C16H20N2O5/c1-16(20,13-8-5-9-23-13)10-17-15(19)18-11-6-4-7-12(21-2)14(11)22-3/h4-9,20H,10H2,1-3H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyRRWRYQFDUKBOFR-MRXNPFEDSA-N
XLogP2.33
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 71870363
1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497664
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(1S)-1-(2-methoxyphenyl)propyl]urea
CID 97219041
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 111482672
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea (CID 95983787) is 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea is COc1cccc(NC(=O)NC[C@@](C)(O)c2ccco2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is RRWRYQFDUKBOFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(20,13-8-5-9-23-13)10-17-15(19)18-11-6-4-7-12(21-2)14(11)22-3/h4-9,20H,10H2,1-3H3,(H2,17,18,19)/t16-/m1/s1.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea?
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 320.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 95983787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).