N-[(3-methylphenyl)methyl]oxane-4-carboxamide

C14H19NO2 — CID 30797255

IUPACN-[(3-methylphenyl)methyl]oxane-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCOCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-15-14(16)13-5-7-17-8-6-13/h2-4,9,13H,5-8,10H2,1H3,(H,15,16)
InChIKeyUPWJZMVDKZOVSD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds3

About N-[(3-methylphenyl)methyl]oxane-4-carboxamide

N-[(3-methylphenyl)methyl]oxane-4-carboxamide (PubChem CID 30797255) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]oxane-4-carboxamide
PubChem CID30797255
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(3-methylphenyl)methyl]oxane-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCOCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-15-14(16)13-5-7-17-8-6-13/h2-4,9,13H,5-8,10H2,1H3,(H,15,16)
InChIKeyUPWJZMVDKZOVSD-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
3-[3-[(oxane-4-carbonylamino)methyl]phenyl]prop-2-enoic acid
CID 76906033
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
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696705
N-[(3-methylphenyl)methyl]-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074793

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]oxane-4-carboxamide (CID 30797255) is N-[(3-methylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]oxane-4-carboxamide is Cc1cccc(CNC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is UPWJZMVDKZOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-15-14(16)13-5-7-17-8-6-13/h2-4,9,13H,5-8,10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methylphenyl)methyl]oxane-4-carboxamide?
N-[(3-methylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 30797255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).