N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide

C13H16N2O3 — CID 110696705

IUPACN-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C13H16N2O3/c1-9-3-2-4-10(5-9)6-14-13(17)11-7-18-8-12(16)15-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyNHJCDRZZXAAJJI-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.13
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide

N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696705) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696705
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C13H16N2O3/c1-9-3-2-4-10(5-9)6-14-13(17)11-7-18-8-12(16)15-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyNHJCDRZZXAAJJI-UHFFFAOYSA-N
XLogP0.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
CID 110696717
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909099
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696724
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
3-[3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906010
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
(3-methylphenyl)methylurea
CID 60776531

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide (CID 110696705) is N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide is Cc1cccc(CNC(=O)C2COCC(=O)N2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is NHJCDRZZXAAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-3-2-4-10(5-9)6-14-13(17)11-7-18-8-12(16)15-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).