5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide

C12H20N2O3 — CID 82942250

IUPAC5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H20N2O3/c1-2-7-16-8-3-6-14-12(15)11-5-4-10(9-13)17-11/h4-5H,2-3,6-9,13H2,1H3,(H,14,15)
InChIKeyGMEXNDGFQZBXDN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.28
Rot. Bonds8

About 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide

5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide (PubChem CID 82942250) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
PubChem CID82942250
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H20N2O3/c1-2-7-16-8-3-6-14-12(15)11-5-4-10(9-13)17-11/h4-5H,2-3,6-9,13H2,1H3,(H,14,15)
InChIKeyGMEXNDGFQZBXDN-UHFFFAOYSA-N
XLogP1.28
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
CID 114100067
5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
CID 106306986
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide (CID 82942250) is 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide is CCCOCCCNC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide?
The InChIKey is GMEXNDGFQZBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-7-16-8-3-6-14-12(15)11-5-4-10(9-13)17-11/h4-5H,2-3,6-9,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide?
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 82942250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).