N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide

C14H20N2O2 — CID 79751202

IUPACN-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C14H20N2O2/c1-10-13(6-7-18-10)14(17)16(2)12-5-3-4-11(8-12)9-15/h3-5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyLKEZTHXQSJSWQU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide

N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79751202) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
PubChem CID79751202
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C14H20N2O2/c1-10-13(6-7-18-10)14(17)16(2)12-5-3-4-11(8-12)9-15/h3-5,8,10,13H,6-7,9,15H2,1-2H3
InChIKeyLKEZTHXQSJSWQU-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
(2R,3R)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332672
(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332675
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline
CID 64737952
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide (CID 79751202) is N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is LKEZTHXQSJSWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-13(6-7-18-10)14(17)16(2)12-5-3-4-11(8-12)9-15/h3-5,8,10,13H,6-7,9,15H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide?
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).