N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide

C14H16N2O2 — CID 54936543

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C14H16N2O2/c1-10-13(6-7-18-10)14(17)16-9-12-4-2-11(8-15)3-5-12/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyOYYLXJQUCOAYKN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.98
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 54936543) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
PubChem CID54936543
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C14H16N2O2/c1-10-13(6-7-18-10)14(17)16-9-12-4-2-11(8-15)3-5-12/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyOYYLXJQUCOAYKN-UHFFFAOYSA-N
XLogP1.98
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 76932639
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide (CID 54936543) is N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is OYYLXJQUCOAYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-13(6-7-18-10)14(17)16-9-12-4-2-11(8-15)3-5-12/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 54936543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).