N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

C15H22N2O4 — CID 66265055

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-16-13-9-21-8-12(13)15(18)17-7-10-6-11(19-2)4-5-14(10)20-3/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyKJNXFMFWUFOTOH-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.55
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265055) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265055
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-16-13-9-21-8-12(13)15(18)17-7-10-6-11(19-2)4-5-14(10)20-3/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyKJNXFMFWUFOTOH-UHFFFAOYSA-N
XLogP0.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267402
cis-(1S,2R)-2-N-tert-butyl-1-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1,2-dicarboxamide
CID 46982400
N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66256873
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[(1R,2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913023
4-(ethylamino)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 66257709
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-(2,4-dimethoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259800
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 66265055) is N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is KJNXFMFWUFOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16-13-9-21-8-12(13)15(18)17-7-10-6-11(19-2)4-5-14(10)20-3/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).