N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

About N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 4140572) has the molecular formula C24H33FN2O4 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name	N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
PubChem CID	4140572
Molecular Formula	C24H33FN2O4
Molecular Weight	432.54 g/mol
Exact Mass	432.24
IUPAC Name	N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
SMILES	CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C(C)C
InChI	InChI=1S/C24H33FN2O4/c1-5-30-14-6-13-26(24(29)18(2)3)17-23(28)27(16-22-12-7-19(4)31-22)15-20-8-10-21(25)11-9-20/h7-12,18H,5-6,13-17H2,1-4H3
InChIKey	AZCDAUCIRUBXHK-UHFFFAOYSA-N
XLogP	4.17
TPSA	62.99 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	12
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The IUPAC name of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (CID 4140572) is N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.

What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The canonical SMILES for N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C(C)C.

What is the InChIKey of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The InChIKey is AZCDAUCIRUBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O4/c1-5-30-14-6-13-26(24(29)18(2)3)17-23(28)27(16-22-12-7-19(4)31-22)15-20-8-10-21(25)11-9-20/h7-12,18H,5-6,13-17H2,1-4H3.

What are the key properties of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 432.54 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 4140572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).