2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide

C18H23NO3 — CID 24678092

IUPAC2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCOC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C18H23NO3/c1-13-12-17(15(3)22-13)18(20)19-10-7-11-21-14(2)16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,19,20)
InChIKeyGRSABJOHMPGKCK-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.79
Rot. Bonds7

About 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide

2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide (PubChem CID 24678092) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
PubChem CID24678092
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCOC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C18H23NO3/c1-13-12-17(15(3)22-13)18(20)19-10-7-11-21-14(2)16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,19,20)
InChIKeyGRSABJOHMPGKCK-UHFFFAOYSA-N
XLogP3.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.79
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

2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
CID 55651536
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide (CID 24678092) is 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide is Cc1cc(C(=O)NCCCOC(C)c2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide?
The InChIKey is GRSABJOHMPGKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-12-17(15(3)22-13)18(20)19-10-7-11-21-14(2)16-8-5-4-6-9-16/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide?
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide is sourced from PubChem (CID 24678092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).