N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide

C17H22N2O2 — CID 79095271

IUPACN-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CC)o1)c1ccc(CN)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-19(14-7-5-13(12-18)6-8-14)17(20)16-10-9-15(4-2)21-16/h5-10H,3-4,11-12,18H2,1-2H3
InChIKeyFLZAQERJZYUKIQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.36
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide

N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide (PubChem CID 79095271) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
PubChem CID79095271
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CC)o1)c1ccc(CN)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-19(14-7-5-13(12-18)6-8-14)17(20)16-10-9-15(4-2)21-16/h5-10H,3-4,11-12,18H2,1-2H3
InChIKeyFLZAQERJZYUKIQ-UHFFFAOYSA-N
XLogP3.36
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide (CID 79095271) is N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccc(CC)o1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide?
The InChIKey is FLZAQERJZYUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-11-19(14-7-5-13(12-18)6-8-14)17(20)16-10-9-15(4-2)21-16/h5-10H,3-4,11-12,18H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide?
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.36, 6 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-ethyl-N-propylfuran-2-carboxamide is sourced from PubChem (CID 79095271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).