[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate

C22H25ClN2O5 — CID 59778402

IUPAC[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCOCC2)c1
InChIInChI=1S/C22H25ClN2O5/c1-28-18-7-4-6-17(13-18)25-21(27)30-15-22(9-11-29-12-10-22)20(26)24-14-16-5-2-3-8-19(16)23/h2-8,13H,9-12,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyFBBQEQVGVSKZAN-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.01
Rot. Bonds7

About [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate

[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate (PubChem CID 59778402) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate
PubChem CID59778402
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCOCC2)c1
InChIInChI=1S/C22H25ClN2O5/c1-28-18-7-4-6-17(13-18)25-21(27)30-15-22(9-11-29-12-10-22)20(26)24-14-16-5-2-3-8-19(16)23/h2-8,13H,9-12,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyFBBQEQVGVSKZAN-UHFFFAOYSA-N
XLogP4.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3,4-dimethylphenyl)carbamate
CID 59778602
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 25025604
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate?
The IUPAC name of [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate (CID 59778402) is [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate?
The canonical SMILES for [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate is COc1cccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCOCC2)c1.
What is the InChIKey of [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate?
The InChIKey is FBBQEQVGVSKZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-28-18-7-4-6-17(13-18)25-21(27)30-15-22(9-11-29-12-10-22)20(26)24-14-16-5-2-3-8-19(16)23/h2-8,13H,9-12,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate?
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate has a molecular weight of 432.90 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 59778402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).