N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide

C13H14N2O2 — CID 106909959

IUPACN-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
SMILESCNCc1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C13H14N2O2/c1-14-8-10-2-4-12(5-3-10)15-13(16)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3,(H,15,16)
InChIKeyZCWBPKXZMZUNMQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide

N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide (PubChem CID 106909959) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
PubChem CID106909959
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
SMILESCNCc1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C13H14N2O2/c1-14-8-10-2-4-12(5-3-10)15-13(16)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3,(H,15,16)
InChIKeyZCWBPKXZMZUNMQ-UHFFFAOYSA-N
XLogP2.25
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N-(4-carbamothioylphenyl)furan-3-carboxamide
CID 24704520
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 46392010
2-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909836
N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide
CID 24531773
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]furan-3-carboxamide
CID 47043832
N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
CID 18368297
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide (CID 106909959) is N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide is CNCc1ccc(NC(=O)c2ccoc2)cc1.
What is the InChIKey of N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide?
The InChIKey is ZCWBPKXZMZUNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-8-10-2-4-12(5-3-10)15-13(16)11-6-7-17-9-11/h2-7,9,14H,8H2,1H3,(H,15,16).
What are the key properties of N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide?
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106909959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).