3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea

C15H21ClN2O4 — CID 118776886

IUPAC3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
SMILESCCN(C(=O)Nc1cc(C)c(Cl)cc1OC)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H21ClN2O4/c1-4-18(12-7-22-8-13(12)19)15(20)17-11-5-9(2)10(16)6-14(11)21-3/h5-6,12-13,19H,4,7-8H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyCUFXYGNJAZVYHI-STQMWFEESA-N
MW328.80 g/mol
LogP2.27
Rot. Bonds4

About 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea

3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea (PubChem CID 118776886) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
PubChem CID118776886
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
SMILESCCN(C(=O)Nc1cc(C)c(Cl)cc1OC)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H21ClN2O4/c1-4-18(12-7-22-8-13(12)19)15(20)17-11-5-9(2)10(16)6-14(11)21-3/h5-6,12-13,19H,4,7-8H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyCUFXYGNJAZVYHI-STQMWFEESA-N
XLogP2.27
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea with MolForge

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Related Compounds

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CID 108940764
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CID 24702273
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]acetamide
CID 46562227
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea (CID 118776886) is 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea is CCN(C(=O)Nc1cc(C)c(Cl)cc1OC)[C@H]1COC[C@@H]1O.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea?
The InChIKey is CUFXYGNJAZVYHI-STQMWFEESA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-4-18(12-7-22-8-13(12)19)15(20)17-11-5-9(2)10(16)6-14(11)21-3/h5-6,12-13,19H,4,7-8H2,1-3H3,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea?
3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea has a molecular weight of 328.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea is sourced from PubChem (CID 118776886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).