N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide

C13H18N2O2 — CID 43458438

IUPACN-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)C1CCCO1
InChIInChI=1S/C13H18N2O2/c1-15(13(16)12-7-4-8-17-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9,14H2,1H3
InChIKeyLDMIDYRIUWCIHO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide

N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide (PubChem CID 43458438) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
PubChem CID43458438
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)C1CCCO1
InChIInChI=1S/C13H18N2O2/c1-15(13(16)12-7-4-8-17-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9,14H2,1H3
InChIKeyLDMIDYRIUWCIHO-UHFFFAOYSA-N
XLogP1.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methyloxane-2-carboxamide
CID 62215167
N-(2-aminophenyl)-N-propyloxolane-2-carboxamide
CID 63230184
(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide
CID 56753523
N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395690
N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 42789460
N-[[2-(aminomethyl)phenyl]methyl]-N,5-dimethyloxolane-2-carboxamide
CID 81325003
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide (CID 43458438) is N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide is CN(Cc1ccccc1N)C(=O)C1CCCO1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is LDMIDYRIUWCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(13(16)12-7-4-8-17-12)9-10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9,14H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide?
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 43458438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).