5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide

C13H21NO4 — CID 78827233

IUPAC5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCOC(C)C)o1
InChIInChI=1S/C13H21NO4/c1-10(2)17-8-4-7-14-13(15)12-6-5-11(18-12)9-16-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyCNNFCDASMIXADZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.97
Rot. Bonds8

About 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide

5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide (PubChem CID 78827233) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
PubChem CID78827233
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCOC(C)C)o1
InChIInChI=1S/C13H21NO4/c1-10(2)17-8-4-7-14-13(15)12-6-5-11(18-12)9-16-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyCNNFCDASMIXADZ-UHFFFAOYSA-N
XLogP1.97
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
CID 78847305
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19459070
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19468164
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 111434009
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide (CID 78827233) is 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide is COCc1ccc(C(=O)NCCCOC(C)C)o1.
What is the InChIKey of 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
The InChIKey is CNNFCDASMIXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10(2)17-8-4-7-14-13(15)12-6-5-11(18-12)9-16-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide?
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide has a molecular weight of 255.31 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide is sourced from PubChem (CID 78827233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).