N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

C17H22N2O2 — CID 65151871

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)Cc2ccccc2CN)c1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)19(4)10-15-8-6-5-7-14(15)9-18/h5-8H,9-10,18H2,1-4H3
InChIKeyRAORKKWYHGJOBP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 65151871) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID65151871
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)Cc2ccccc2CN)c1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)19(4)10-15-8-6-5-7-14(15)9-18/h5-8H,9-10,18H2,1-4H3
InChIKeyRAORKKWYHGJOBP-UHFFFAOYSA-N
XLogP2.94
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47288271
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721274
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
N,2,4,5-tetramethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]furan-3-carboxamide
CID 18097973

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide (CID 65151871) is N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(C)Cc2ccccc2CN)c1C.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is RAORKKWYHGJOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-12(2)21-13(3)16(11)17(20)19(4)10-15-8-6-5-7-14(15)9-18/h5-8H,9-10,18H2,1-4H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 65151871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).