2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

C27H32FN3O5 — CID 4193760

IUPAC2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C27H32FN3O5/c1-3-35-16-5-15-30(27(33)29-23-11-13-24(34-2)14-12-23)20-26(32)31(19-25-6-4-17-36-25)18-21-7-9-22(28)10-8-21/h4,6-14,17H,3,5,15-16,18-20H2,1-2H3,(H,29,33)
InChIKeyZRVIADFQQDVDFC-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.92
Rot. Bonds13

About 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4193760) has the molecular formula C27H32FN3O5 and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID4193760
Molecular FormulaC27H32FN3O5
Molecular Weight497.57 g/mol
Exact Mass497.23
IUPAC Name2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C27H32FN3O5/c1-3-35-16-5-15-30(27(33)29-23-11-13-24(34-2)14-12-23)20-26(32)31(19-25-6-4-17-36-25)18-21-7-9-22(28)10-8-21/h4,6-14,17H,3,5,15-16,18-20H2,1-2H3,(H,29,33)
InChIKeyZRVIADFQQDVDFC-UHFFFAOYSA-N
XLogP4.92
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4573036
2-[(2,6-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3547229
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4186915
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5101198
2-[3-ethoxypropyl-[(3-methylphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3287374
2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5105102
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42773483
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propyl)amino]acetamide
CID 3601767
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
2-[3-ethoxypropyl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5098727
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (CID 4193760) is 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZRVIADFQQDVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O5/c1-3-35-16-5-15-30(27(33)29-23-11-13-24(34-2)14-12-23)20-26(32)31(19-25-6-4-17-36-25)18-21-7-9-22(28)10-8-21/h4,6-14,17H,3,5,15-16,18-20H2,1-2H3,(H,29,33).
What are the key properties of 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 497.57 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4193760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).