1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea

C18H24N2O5 — CID 94179735

IUPAC1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOc1ccc(OC)c([C@@H](O)CNC(=O)N[C@H](C)c2ccc(C)o2)c1
InChIInChI=1S/C18H24N2O5/c1-11-5-7-16(25-11)12(2)20-18(22)19-10-15(21)14-9-13(23-3)6-8-17(14)24-4/h5-9,12,15,21H,10H2,1-4H3,(H2,19,20,22)/t12-,15+/m1/s1
InChIKeyWEFAXPRYYDTLPP-DOMZBBRYSA-N
MW348.40 g/mol
LogP2.70
Rot. Bonds7

About 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea

1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 94179735) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID94179735
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOc1ccc(OC)c([C@@H](O)CNC(=O)N[C@H](C)c2ccc(C)o2)c1
InChIInChI=1S/C18H24N2O5/c1-11-5-7-16(25-11)12(2)20-18(22)19-10-15(21)14-9-13(23-3)6-8-17(14)24-4/h5-9,12,15,21H,10H2,1-4H3,(H2,19,20,22)/t12-,15+/m1/s1
InChIKeyWEFAXPRYYDTLPP-DOMZBBRYSA-N
XLogP2.70
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 134046801
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 60597911
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea (CID 94179735) is 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea is COc1ccc(OC)c([C@@H](O)CNC(=O)N[C@H](C)c2ccc(C)o2)c1.
What is the InChIKey of 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is WEFAXPRYYDTLPP-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11-5-7-16(25-11)12(2)20-18(22)19-10-15(21)14-9-13(23-3)6-8-17(14)24-4/h5-9,12,15,21H,10H2,1-4H3,(H2,19,20,22)/t12-,15+/m1/s1.
What are the key properties of 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea?
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 348.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 94179735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).