N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C16H26N2O2 — CID 19414016

IUPACN-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-10-17-16(19)15-9-8-14(20-15)13-18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19)
InChIKeyBDAFOWMSGDAJLR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds8

About N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19414016) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19414016
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-10-17-16(19)15-9-8-14(20-15)13-18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19)
InChIKeyBDAFOWMSGDAJLR-UHFFFAOYSA-N
XLogP3.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416094
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416093
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
N-[3-(4-hydroxyphenyl)propyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230046
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4027391
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 19414016) is N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCCCCCNC(=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is BDAFOWMSGDAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-10-17-16(19)15-9-8-14(20-15)13-18-11-6-7-12-18/h8-9H,2-7,10-13H2,1H3,(H,17,19).
What are the key properties of N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19414016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).