N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide

C24H31FN2O3 — CID 132707913

IUPACN-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c1-4-18(3)26-24(29)22(5-2)27(16-15-19-9-7-6-8-10-19)23(28)17-30-21-13-11-20(25)12-14-21/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyLUQHYWYZEOOYSS-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.97
Rot. Bonds11

About N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide

N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132707913) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132707913
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3/c1-4-18(3)26-24(29)22(5-2)27(16-15-19-9-7-6-8-10-19)23(28)17-30-21-13-11-20(25)12-14-21/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyLUQHYWYZEOOYSS-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide with MolForge

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
CID 132723789
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132705479
(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
CID 100625010
2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132709843
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625126
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 132718126
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100708625
(2R)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100640525
(2R)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515152
(2S)-2-[benzyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100651595

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide (CID 132707913) is N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide is CCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is LUQHYWYZEOOYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-4-18(3)26-24(29)22(5-2)27(16-15-19-9-7-6-8-10-19)23(28)17-30-21-13-11-20(25)12-14-21/h6-14,18,22H,4-5,15-17H2,1-3H3,(H,26,29).
What are the key properties of N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 414.52 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132707913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).