2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide

C22H27FN2O4 — CID 75044819

IUPAC2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O4/c1-16(26)25-21(15-28-2)22(27)24-14-18-10-8-17(9-11-18)5-4-12-29-20-7-3-6-19(23)13-20/h3,6-11,13,21H,4-5,12,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVMAWIXAXZVJQOK-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.60
Rot. Bonds11

About 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide

2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide (PubChem CID 75044819) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
PubChem CID75044819
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O4/c1-16(26)25-21(15-28-2)22(27)24-14-18-10-8-17(9-11-18)5-4-12-29-20-7-3-6-19(23)13-20/h3,6-11,13,21H,4-5,12,14-15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVMAWIXAXZVJQOK-UHFFFAOYSA-N
XLogP2.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 58115530
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
N-[(2R)-5-[4-[difluoro-(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenoxy)methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[(3-fluorophenyl)methoxymethyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide;N-[(2R)-5-[4-[3-(3-fluorophenyl)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 160746035
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 123667708

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide (CID 75044819) is 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide is COCC(NC(C)=O)C(=O)NCc1ccc(CCCOc2cccc(F)c2)cc1.
What is the InChIKey of 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide?
The InChIKey is VMAWIXAXZVJQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-16(26)25-21(15-28-2)22(27)24-14-18-10-8-17(9-11-18)5-4-12-29-20-7-3-6-19(23)13-20/h3,6-11,13,21H,4-5,12,14-15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide?
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide has a molecular weight of 402.47 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 75044819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).