2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C22H27FN2O3 — CID 133149813

IUPAC2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H27FN2O3/c1-4-21(26)25(15-18-5-9-19(23)10-6-18)16(2)22(27)24-14-13-17-7-11-20(28-3)12-8-17/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyABBIQKVDDQOLDT-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.32
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 133149813) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID133149813
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C22H27FN2O3/c1-4-21(26)25(15-18-5-9-19(23)10-6-18)16(2)22(27)24-14-13-17-7-11-20(28-3)12-8-17/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyABBIQKVDDQOLDT-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133213178
2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133213000
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132654013
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100624094
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624195
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 133213514

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 133149813) is 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is CCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is ABBIQKVDDQOLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-4-21(26)25(15-18-5-9-19(23)10-6-18)16(2)22(27)24-14-13-17-7-11-20(28-3)12-8-17/h5-12,16H,4,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 386.47 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133149813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).