N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide

C22H27FN2O2 — CID 132655627

IUPACN-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H27FN2O2/c1-4-20(22(27)24-5-2)25(15-17-9-11-19(23)12-10-17)21(26)14-18-8-6-7-16(3)13-18/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyKYPJYKWMCZCAOU-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.62
Rot. Bonds8

About N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide

N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (PubChem CID 132655627) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
PubChem CID132655627
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H27FN2O2/c1-4-20(22(27)24-5-2)25(15-17-9-11-19(23)12-10-17)21(26)14-18-8-6-7-16(3)13-18/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyKYPJYKWMCZCAOU-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100556680
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676751
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676740
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide
CID 132658505
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132659996
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132707567
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
2-[(4-fluorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-propylbutanamide
CID 132669046
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100556882
2-[butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132650363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (CID 132655627) is N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is CCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The InChIKey is KYPJYKWMCZCAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-4-20(22(27)24-5-2)25(15-17-9-11-19(23)12-10-17)21(26)14-18-8-6-7-16(3)13-18/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide has a molecular weight of 370.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132655627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).