5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide

C12H17NO3 — CID 6468221

IUPAC5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C2CCCO2)o1
InChIInChI=1S/C12H17NO3/c1-8-5-6-11(16-8)12(14)13-9(2)10-4-3-7-15-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyHFSFJJRTXRDTHM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.89
Rot. Bonds3

About 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide

5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide (PubChem CID 6468221) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
PubChem CID6468221
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C2CCCO2)o1
InChIInChI=1S/C12H17NO3/c1-8-5-6-11(16-8)12(14)13-9(2)10-4-3-7-15-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyHFSFJJRTXRDTHM-UHFFFAOYSA-N
XLogP1.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
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N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
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5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
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2-[(Furan-2-carbonyl)-amino]-propionic acid
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide (CID 6468221) is 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide is Cc1ccc(C(=O)NC(C)C2CCCO2)o1.
What is the InChIKey of 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is HFSFJJRTXRDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-6-11(16-8)12(14)13-9(2)10-4-3-7-15-10/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide?
5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 6468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).