2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide

C23H29FN2O3 — CID 132705479

IUPAC2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-4-17(3)25-23(28)21(5-2)26(15-18-9-7-6-8-10-18)22(27)16-29-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyUQQUZDBYRPSFSA-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.93
Rot. Bonds10

About 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide

2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide (PubChem CID 132705479) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide
PubChem CID132705479
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-4-17(3)25-23(28)21(5-2)26(15-18-9-7-6-8-10-18)22(27)16-29-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyUQQUZDBYRPSFSA-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100708625
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132707913
(2R)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100640525
(2S)-2-[benzyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100651595
(2S)-2-[benzyl-[2-(4-tert-butylphenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100649727
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 100542869
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100713028
(2R)-2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100648355
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100677266
(2S)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
CID 100708756

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide?
The IUPAC name of 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide (CID 132705479) is 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide is CCC(C)NC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide?
The InChIKey is UQQUZDBYRPSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-4-17(3)25-23(28)21(5-2)26(15-18-9-7-6-8-10-18)22(27)16-29-20-13-11-19(24)12-14-20/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide?
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide has a molecular weight of 400.49 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide is sourced from PubChem (CID 132705479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).