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

C24H31FN2O4 — CID 42773137

IUPACN-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CC1
InChIInChI=1S/C24H31FN2O4/c1-3-30-14-4-13-26(24(29)20-8-9-20)17-23(28)27(16-22-12-5-18(2)31-22)15-19-6-10-21(25)11-7-19/h5-7,10-12,20H,3-4,8-9,13-17H2,1-2H3
InChIKeyYMCWAVPLDQOGEM-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.92
Rot. Bonds12

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

N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 42773137) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID42773137
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC NameN-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CC1
InChIInChI=1S/C24H31FN2O4/c1-3-30-14-4-13-26(24(29)20-8-9-20)17-23(28)27(16-22-12-5-18(2)31-22)15-19-6-10-21(25)11-7-19/h5-7,10-12,20H,3-4,8-9,13-17H2,1-2H3
InChIKeyYMCWAVPLDQOGEM-UHFFFAOYSA-N
XLogP3.92
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4140572
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42773134
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5101198
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 1058347
2-[3-ethoxypropyl-[(3-methylphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3287374
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 3462109
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide
CID 3408962
N-benzyl-2-[3-ethoxypropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773091
ethyl 4-[[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(3-ethoxypropyl)amino]-4-oxobutanoate
CID 4547725
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42773085

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]cyclopropanecarboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 42773137) is N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide is CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)C1CC1.
What is the InChIKey of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is YMCWAVPLDQOGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-3-30-14-4-13-26(24(29)20-8-9-20)17-23(28)27(16-22-12-5-18(2)31-22)15-19-6-10-21(25)11-7-19/h5-7,10-12,20H,3-4,8-9,13-17H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 430.52 g/mol, XLogP of 3.92, 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]cyclopropanecarboxamide is sourced from PubChem (CID 42773137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).