N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide

C20H28N2O4 — CID 127697163

IUPACN-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)C2CCCCO2)c1)C1CCCCO1
InChIInChI=1S/C20H28N2O4/c23-19(17-8-1-3-10-25-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-9-2-4-11-26-18/h5-7,12,17-18H,1-4,8-11,13-14H2,(H,21,23)(H,22,24)
InChIKeyOHDRXOKXTMGDLT-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.06
Rot. Bonds6

About N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide

N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide (PubChem CID 127697163) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
PubChem CID127697163
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
SMILESO=C(NCc1cccc(CNC(=O)C2CCCCO2)c1)C1CCCCO1
InChIInChI=1S/C20H28N2O4/c23-19(17-8-1-3-10-25-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-9-2-4-11-26-18/h5-7,12,17-18H,1-4,8-11,13-14H2,(H,21,23)(H,22,24)
InChIKeyOHDRXOKXTMGDLT-UHFFFAOYSA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[[3-(phenylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 46475223
1-[3-[(oxane-2-carbonylamino)methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629410
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide?
The IUPAC name of N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide (CID 127697163) is N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide?
The canonical SMILES for N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide is O=C(NCc1cccc(CNC(=O)C2CCCCO2)c1)C1CCCCO1.
What is the InChIKey of N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide?
The InChIKey is OHDRXOKXTMGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(17-8-1-3-10-25-17)21-13-15-6-5-7-16(12-15)14-22-20(24)18-9-2-4-11-26-18/h5-7,12,17-18H,1-4,8-11,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide?
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 127697163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).