N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide

C13H14N2O2 — CID 43458127

IUPACN-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1ccoc1
InChIInChI=1S/C13H14N2O2/c1-15(13(16)11-6-7-17-9-11)8-10-2-4-12(14)5-3-10/h2-7,9H,8,14H2,1H3
InChIKeyHYHLGWVKCDRRGN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.13
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide

N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide (PubChem CID 43458127) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
PubChem CID43458127
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1ccoc1
InChIInChI=1S/C13H14N2O2/c1-15(13(16)11-6-7-17-9-11)8-10-2-4-12(14)5-3-10/h2-7,9H,8,14H2,1H3
InChIKeyHYHLGWVKCDRRGN-UHFFFAOYSA-N
XLogP2.13
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[[2-(aminomethyl)phenyl]methyl]-N-methylfuran-3-carboxamide
CID 54939111
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
5-amino-N-(furan-3-ylmethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61421765
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 64510807

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide (CID 43458127) is N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide is CN(Cc1ccc(N)cc1)C(=O)c1ccoc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide?
The InChIKey is HYHLGWVKCDRRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(13(16)11-6-7-17-9-11)8-10-2-4-12(14)5-3-10/h2-7,9H,8,14H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide?
N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 43458127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).