N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide

C25H34FN3O4 — CID 3541849

IUPACN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C25H34FN3O4/c1-2-5-24(30)28(12-4-11-27-13-16-32-17-14-27)20-25(31)29(19-23-6-3-15-33-23)18-21-7-9-22(26)10-8-21/h3,6-10,15H,2,4-5,11-14,16-20H2,1H3
InChIKeyRCUROKPUWDMXCE-UHFFFAOYSA-N
MW459.56 g/mol
LogP3.30
Rot. Bonds12

About N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 3541849) has the molecular formula C25H34FN3O4 and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID3541849
Molecular FormulaC25H34FN3O4
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C25H34FN3O4/c1-2-5-24(30)28(12-4-11-27-13-16-32-17-14-27)20-25(31)29(19-23-6-3-15-33-23)18-21-7-9-22(26)10-8-21/h3,6-10,15H,2,4-5,11-14,16-20H2,1H3
InChIKeyRCUROKPUWDMXCE-UHFFFAOYSA-N
XLogP3.30
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3683511
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 42773435
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
2-[butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5099363
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5244604
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188
2-[(2-bromophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3301442
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 5172086
2-[1-adamantylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4283754
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3546877
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide (CID 3541849) is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide is CCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is RCUROKPUWDMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O4/c1-2-5-24(30)28(12-4-11-27-13-16-32-17-14-27)20-25(31)29(19-23-6-3-15-33-23)18-21-7-9-22(26)10-8-21/h3,6-10,15H,2,4-5,11-14,16-20H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide?
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 459.56 g/mol, XLogP of 3.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 3541849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).