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

C22H27FN2O3 — CID 44538364

IUPAC(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(CCCc2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O3/c1-16(26)25-21(15-28-2)22(27)24-14-19-11-9-17(10-12-19)5-3-6-18-7-4-8-20(23)13-18/h4,7-13,21H,3,5-6,14-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKeyZSUITRFIQVZCPE-OAQYLSRUSA-N
MW386.47 g/mol
LogP2.77
Rot. Bonds10

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

(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide (PubChem CID 44538364) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
PubChem CID44538364
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(CCCc2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O3/c1-16(26)25-21(15-28-2)22(27)24-14-19-11-9-17(10-12-19)5-3-6-18-7-4-8-20(23)13-18/h4,7-13,21H,3,5-6,14-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKeyZSUITRFIQVZCPE-OAQYLSRUSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
(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
N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 58115530
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(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
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide (CID 44538364) is (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(CCCc2cccc(F)c2)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide?
The InChIKey is ZSUITRFIQVZCPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-16(26)25-21(15-28-2)22(27)24-14-19-11-9-17(10-12-19)5-3-6-18-7-4-8-20(23)13-18/h4,7-13,21H,3,5-6,14-15H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide has a molecular weight of 386.47 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 44538364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).