3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea

C16H23ClN2O2 — CID 97444759

IUPAC3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-4-19(14-9-10-21-16(2,3)11-14)15(20)18-13-7-5-12(17)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyNTICYWPSTBYFFE-AWEZNQCLSA-N
MW310.82 g/mol
LogP4.15
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea

3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea (PubChem CID 97444759) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
PubChem CID97444759
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C16H23ClN2O2/c1-4-19(14-9-10-21-16(2,3)11-14)15(20)18-13-7-5-12(17)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyNTICYWPSTBYFFE-AWEZNQCLSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea 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

1-(2,2-dimethyloxan-4-yl)-1-ethyl-3-(4-fluoro-2-methylphenyl)urea
CID 74234341
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl)-1-ethylurea
CID 61231908
1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethyl-3-(2-methoxy-5-methylphenyl)urea
CID 97444921
3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
CID 118783245
5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide
CID 50963092
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-(3,5-difluorophenyl)-1-(2,2-dimethyloxan-4-yl)-1-methylurea
CID 118783191
3-(3,5-difluorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-methylurea
CID 125164887
N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
1-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)propane-1,3-dione
CID 123222998
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea (CID 97444759) is 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea is CCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea?
The InChIKey is NTICYWPSTBYFFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-19(14-9-10-21-16(2,3)11-14)15(20)18-13-7-5-12(17)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea?
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea has a molecular weight of 310.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea is sourced from PubChem (CID 97444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).