N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide

C19H20N2O5 — CID 119729240

IUPACN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CNCCO1
InChIInChI=1S/C19H20N2O5/c22-19(18-10-20-6-7-23-18)21-14-3-1-2-13(8-14)11-24-15-4-5-16-17(9-15)26-12-25-16/h1-5,8-9,18,20H,6-7,10-12H2,(H,21,22)
InChIKeyVOIVTSRMVSFMIC-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.92
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide

N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide (PubChem CID 119729240) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide
PubChem CID119729240
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CNCCO1
InChIInChI=1S/C19H20N2O5/c22-19(18-10-20-6-7-23-18)21-14-3-1-2-13(8-14)11-24-15-4-5-16-17(9-15)26-12-25-16/h1-5,8-9,18,20H,6-7,10-12H2,(H,21,22)
InChIKeyVOIVTSRMVSFMIC-UHFFFAOYSA-N
XLogP1.92
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119754344
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119729227
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119713878
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(3-methylbutyl)urea
CID 52641109
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119729232
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
N-[3-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55804995

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide (CID 119729240) is N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide is O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)C1CNCCO1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is VOIVTSRMVSFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-19(18-10-20-6-7-23-18)21-14-3-1-2-13(8-14)11-24-15-4-5-16-17(9-15)26-12-25-16/h1-5,8-9,18,20H,6-7,10-12H2,(H,21,22).
What are the key properties of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide?
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119729240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).