methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate

C16H22N2O5 — CID 71851664

IUPACmethyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate
SMILESCOC(=O)CC1(NC(=O)Nc2ccccc2OC)CCOCC1
InChIInChI=1S/C16H22N2O5/c1-21-13-6-4-3-5-12(13)17-15(20)18-16(11-14(19)22-2)7-9-23-10-8-16/h3-6H,7-11H2,1-2H3,(H2,17,18,20)
InChIKeyCVHKGTFOXBBAAC-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate

methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate (PubChem CID 71851664) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate
PubChem CID71851664
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate
SMILESCOC(=O)CC1(NC(=O)Nc2ccccc2OC)CCOCC1
InChIInChI=1S/C16H22N2O5/c1-21-13-6-4-3-5-12(13)17-15(20)18-16(11-14(19)22-2)7-9-23-10-8-16/h3-6H,7-11H2,1-2H3,(H2,17,18,20)
InChIKeyCVHKGTFOXBBAAC-UHFFFAOYSA-N
XLogP1.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276523
methyl 2-[(3S)-3-[[2,6-difluoro-4-(2-phenylethynyl)phenyl]carbamoylamino]oxolan-3-yl]acetate
CID 118341677
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
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methyl 2-[4-[(2-methoxy-6-phenylphenyl)sulfonylmethylamino]oxan-4-yl]acetate
CID 141041748
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
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N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604824
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate (CID 71851664) is methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate is COC(=O)CC1(NC(=O)Nc2ccccc2OC)CCOCC1.
What is the InChIKey of methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate?
The InChIKey is CVHKGTFOXBBAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-13-6-4-3-5-12(13)17-15(20)18-16(11-14(19)22-2)7-9-23-10-8-16/h3-6H,7-11H2,1-2H3,(H2,17,18,20).
What are the key properties of methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate?
methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methoxyphenyl)carbamoylamino]oxan-4-yl]acetate is sourced from PubChem (CID 71851664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).