N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide

C15H18N2O2 — CID 55156972

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
SMILESNCc1ccccc1CNC(=O)CCc1ccco1
InChIInChI=1S/C15H18N2O2/c16-10-12-4-1-2-5-13(12)11-17-15(18)8-7-14-6-3-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyXUFJJJURBXQHSI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide

N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide (PubChem CID 55156972) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
PubChem CID55156972
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
SMILESNCc1ccccc1CNC(=O)CCc1ccco1
InChIInChI=1S/C15H18N2O2/c16-10-12-4-1-2-5-13(12)11-17-15(18)8-7-14-6-3-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18)
InChIKeyXUFJJJURBXQHSI-UHFFFAOYSA-N
XLogP1.99
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-3-(furan-2-yl)propanamide
CID 63359642
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
CID 42244968
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
CID 110616052
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide (CID 55156972) is N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide is NCc1ccccc1CNC(=O)CCc1ccco1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide?
The InChIKey is XUFJJJURBXQHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-12-4-1-2-5-13(12)11-17-15(18)8-7-14-6-3-9-19-14/h1-6,9H,7-8,10-11,16H2,(H,17,18).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide?
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 55156972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).