1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea

C15H22N2O4 — CID 118778137

IUPAC1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-21-14-9-20-8-12(14)17-15(18)16-11-6-5-10(2)13(7-11)19-3/h5-7,12,14H,4,8-9H2,1-3H3,(H2,16,17,18)/t12-,14-/m0/s1
InChIKeyTYNCHXMGASEXQY-JSGCOSHPSA-N
MW294.35 g/mol
LogP1.93
Rot. Bonds5

About 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea (PubChem CID 118778137) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
PubChem CID118778137
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-21-14-9-20-8-12(14)17-15(18)16-11-6-5-10(2)13(7-11)19-3/h5-7,12,14H,4,8-9H2,1-3H3,(H2,16,17,18)/t12-,14-/m0/s1
InChIKeyTYNCHXMGASEXQY-JSGCOSHPSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide
CID 118767991
1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
CID 131911929
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118771882
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
CID 122559839
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239543
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156607637
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 50949241
1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea
CID 75457928
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea (CID 118778137) is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea is CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(OC)c1.
What is the InChIKey of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea?
The InChIKey is TYNCHXMGASEXQY-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-14-9-20-8-12(14)17-15(18)16-11-6-5-10(2)13(7-11)19-3/h5-7,12,14H,4,8-9H2,1-3H3,(H2,16,17,18)/t12-,14-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea?
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea has a molecular weight of 294.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 118778137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).