1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

C23H29ClN2O3 — CID 86943218

IUPAC1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-17(14-18-4-3-5-21(15-18)28-2)26-22(27)25-16-23(10-12-29-13-11-23)19-6-8-20(24)9-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H2,25,26,27)
InChIKeySXZCUOKBLMBAFE-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.33
Rot. Bonds7

About 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea

1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943218) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943218
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-17(14-18-4-3-5-21(15-18)28-2)26-22(27)25-16-23(10-12-29-13-11-23)19-6-8-20(24)9-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H2,25,26,27)
InChIKeySXZCUOKBLMBAFE-UHFFFAOYSA-N
XLogP4.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea with MolForge

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Related Compounds

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86943756
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 86943137
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86943303
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943218) is 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is COc1cccc(CC(C)NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is SXZCUOKBLMBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-17(14-18-4-3-5-21(15-18)28-2)26-22(27)25-16-23(10-12-29-13-11-23)19-6-8-20(24)9-7-19/h3-9,15,17H,10-14,16H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 416.95 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).