2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide

C24H31BrN2O3 — CID 132723789

IUPAC2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O3/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)
InChIKeyOLIGZZCBJGWRNY-UHFFFAOYSA-N
MW475.43 g/mol
LogP4.59
Rot. Bonds11

About 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide

2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide (PubChem CID 132723789) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
PubChem CID132723789
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O3/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)
InChIKeyOLIGZZCBJGWRNY-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide with MolForge

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Related Compounds

N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132707913
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513555
(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-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetyl]-(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 125079559
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132674117
(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
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100683944
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132723773
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide (CID 132723789) is 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide is CCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide?
The InChIKey is OLIGZZCBJGWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O3/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 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide?
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide has a molecular weight of 475.43 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide is sourced from PubChem (CID 132723789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).