N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide

C15H19N3O2 — CID 61422115

IUPACN-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(CN)c1)Cc1ccoc1
InChIInChI=1S/C15H19N3O2/c1-18(9-13-5-6-20-11-13)10-15(19)17-14-4-2-3-12(7-14)8-16/h2-7,11H,8-10,16H2,1H3,(H,17,19)
InChIKeyRQVJAVKZQPLAQZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide

N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide (PubChem CID 61422115) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
PubChem CID61422115
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(CN)c1)Cc1ccoc1
InChIInChI=1S/C15H19N3O2/c1-18(9-13-5-6-20-11-13)10-15(19)17-14-4-2-3-12(7-14)8-16/h2-7,11H,8-10,16H2,1H3,(H,17,19)
InChIKeyRQVJAVKZQPLAQZ-UHFFFAOYSA-N
XLogP1.81
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421770
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide (CID 61422115) is N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1cccc(CN)c1)Cc1ccoc1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The InChIKey is RQVJAVKZQPLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(9-13-5-6-20-11-13)10-15(19)17-14-4-2-3-12(7-14)8-16/h2-7,11H,8-10,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 61422115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).