5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide

C10H16N2O2 — CID 114819329

IUPAC5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCCCNC(=O)c1coc(C)c1
InChIInChI=1S/C10H16N2O2/c1-8-6-9(7-14-8)10(13)12-5-3-4-11-2/h6-7,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyZTBVEOFWCWSZPN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds5

About 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide

5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide (PubChem CID 114819329) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
PubChem CID114819329
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCCCNC(=O)c1coc(C)c1
InChIInChI=1S/C10H16N2O2/c1-8-6-9(7-14-8)10(13)12-5-3-4-11-2/h6-7,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyZTBVEOFWCWSZPN-UHFFFAOYSA-N
XLogP0.93
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
5-methyl-N-pent-3-ynylfuran-3-carboxamide
CID 114822799
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233315
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide (CID 114819329) is 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide is CNCCCNC(=O)c1coc(C)c1.
What is the InChIKey of 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The InChIKey is ZTBVEOFWCWSZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-9(7-14-8)10(13)12-5-3-4-11-2/h6-7,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 114819329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).