methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate

C15H18N2O4 — CID 108913270

IUPACmethyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)12-2-4-13(5-3-12)17-15(19)16-10-11-6-8-21-9-7-11/h2-5,10H,6-9H2,1H3,(H2,16,17,19)
InChIKeyPYMKWRDZXHBGMV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.29
Rot. Bonds3

About methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate

methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate (PubChem CID 108913270) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate
PubChem CID108913270
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-14(18)12-2-4-13(5-3-12)17-15(19)16-10-11-6-8-21-9-7-11/h2-5,10H,6-9H2,1H3,(H2,16,17,19)
InChIKeyPYMKWRDZXHBGMV-UHFFFAOYSA-N
XLogP2.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
methyl 4-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzoate
CID 6421421
methyl 4-(cyanomethylcarbamoylamino)benzoate
CID 108864803
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
methyl 4-[[2-(morpholine-4-carbonyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]benzoate
CID 21236218
methyl 4-[(4-amino-4-oxobut-2-enoyl)amino]benzoate
CID 715634
4-(4-methoxycarbonylanilino)-4-oxobut-2-enoic acid
CID 680908
methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate?
The IUPAC name of methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate (CID 108913270) is methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate is COC(=O)c1ccc(NC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate?
The InChIKey is PYMKWRDZXHBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-14(18)12-2-4-13(5-3-12)17-15(19)16-10-11-6-8-21-9-7-11/h2-5,10H,6-9H2,1H3,(H2,16,17,19).
What are the key properties of methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate?
methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate has a molecular weight of 290.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate is sourced from PubChem (CID 108913270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).