N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide

C13H18N2O2 — CID 43601839

IUPACN-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
SMILESCNCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-14-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-17-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)
InChIKeyYKFYOUGOIBCDTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds4

About N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide (PubChem CID 43601839) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
PubChem CID43601839
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
SMILESCNCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-14-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-17-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)
InChIKeyYKFYOUGOIBCDTJ-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-(methylaminomethyl)phenyl]-1,4-dioxane-2-carboxamide
CID 43662818
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide (CID 43601839) is N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide is CNCc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is YKFYOUGOIBCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-17-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide?
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43601839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).