3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide

C11H18N2O2 — CID 62659000

IUPAC3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
SMILESCCCNCCNC(=O)c1occc1C
InChIInChI=1S/C11H18N2O2/c1-3-5-12-6-7-13-11(14)10-9(2)4-8-15-10/h4,8,12H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyPVCTUKMJGNNGRQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.32
Rot. Bonds6

About 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide

3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide (PubChem CID 62659000) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
PubChem CID62659000
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
SMILESCCCNCCNC(=O)c1occc1C
InChIInChI=1S/C11H18N2O2/c1-3-5-12-6-7-13-11(14)10-9(2)4-8-15-10/h4,8,12H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyPVCTUKMJGNNGRQ-UHFFFAOYSA-N
XLogP1.32
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.32
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-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[3-[[N-butyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111439277
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide (CID 62659000) is 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide is CCCNCCNC(=O)c1occc1C.
What is the InChIKey of 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The InChIKey is PVCTUKMJGNNGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-12-6-7-13-11(14)10-9(2)4-8-15-10/h4,8,12H,3,5-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide?
3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 62659000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).