N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide

C16H20N2O2 — CID 114818479

IUPACN-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(C(=O)c1coc(C)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2/c1-3-8-18(15-6-4-13(10-17)5-7-15)16(19)14-9-12(2)20-11-14/h4-7,9,11H,3,8,10,17H2,1-2H3
InChIKeyJEUCPQHUDHUDBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide

N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide (PubChem CID 114818479) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
PubChem CID114818479
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(C(=O)c1coc(C)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2/c1-3-8-18(15-6-4-13(10-17)5-7-15)16(19)14-9-12(2)20-11-14/h4-7,9,11H,3,8,10,17H2,1-2H3
InChIKeyJEUCPQHUDHUDBS-UHFFFAOYSA-N
XLogP3.10
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide (CID 114818479) is N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide is CCCN(C(=O)c1coc(C)c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide?
The InChIKey is JEUCPQHUDHUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-8-18(15-6-4-13(10-17)5-7-15)16(19)14-9-12(2)20-11-14/h4-7,9,11H,3,8,10,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide?
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 114818479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).