N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide

C13H18N2O4 — CID 655891

IUPACN-(3,5-dimethoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cc(NC(=O)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyMFSPTHKEAYATOI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.57
Rot. Bonds3

About N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide

N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide (PubChem CID 655891) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)morpholine-4-carboxamide
PubChem CID655891
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(3,5-dimethoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cc(NC(=O)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyMFSPTHKEAYATOI-UHFFFAOYSA-N
XLogP1.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide (CID 655891) is N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide is COc1cc(NC(=O)N2CCOCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide?
The InChIKey is MFSPTHKEAYATOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide?
N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 655891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).