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

C29H34FN3O5 — CID 3683511

IUPACN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C29H34FN3O5/c30-25-11-9-24(10-12-25)20-33(21-27-8-4-17-37-27)28(34)22-32(14-5-13-31-15-18-36-19-16-31)29(35)23-38-26-6-2-1-3-7-26/h1-4,6-12,17H,5,13-16,18-23H2
InChIKeyXZCZFHGNDOZARS-UHFFFAOYSA-N
MW523.61 g/mol
LogP3.58
Rot. Bonds13

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

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide (PubChem CID 3683511) has the molecular formula C29H34FN3O5 and a molecular weight of 523.61 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
PubChem CID3683511
Molecular FormulaC29H34FN3O5
Molecular Weight523.61 g/mol
Exact Mass523.25
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C29H34FN3O5/c30-25-11-9-24(10-12-25)20-33(21-27-8-4-17-37-27)28(34)22-32(14-5-13-31-15-18-36-19-16-31)29(35)23-38-26-6-2-1-3-7-26/h1-4,6-12,17H,5,13-16,18-23H2
InChIKeyXZCZFHGNDOZARS-UHFFFAOYSA-N
XLogP3.58
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 4998735
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 42773435
2-[(2-bromophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3301442
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
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
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5244604
2-[1-adamantylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4283754
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide (CID 3683511) is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The InChIKey is XZCZFHGNDOZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O5/c30-25-11-9-24(10-12-25)20-33(21-27-8-4-17-37-27)28(34)22-32(14-5-13-31-15-18-36-19-16-31)29(35)23-38-26-6-2-1-3-7-26/h1-4,6-12,17H,5,13-16,18-23H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide has a molecular weight of 523.61 g/mol, XLogP of 3.58, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 3683511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).