2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide

C24H31BrN2O3 — CID 133226357

IUPAC2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C24H31BrN2O3/c1-5-17(3)26-24(29)18(4)27(15-20-8-7-9-21(25)14-20)23(28)16-30-22-12-10-19(6-2)11-13-22/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,29)
InChIKeySEDAHMVEXBWDIW-UHFFFAOYSA-N
MW475.43 g/mol
LogP4.72
Rot. Bonds10

About 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide

2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide (PubChem CID 133226357) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
PubChem CID133226357
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC Name2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)CC)cc1
InChIInChI=1S/C24H31BrN2O3/c1-5-17(3)26-24(29)18(4)27(15-20-8-7-9-21(25)14-20)23(28)16-30-22-12-10-19(6-2)11-13-22/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,29)
InChIKeySEDAHMVEXBWDIW-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132707034
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132710427
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100537861
2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146028
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194707
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100599959
2-[(3-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194755
2-[(4-bromophenyl)methyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 133258461
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 100596896
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propylpropanamide
CID 132620937
2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 132701864
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-ethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100530026

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide (CID 133226357) is 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide is CCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)CC)cc1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is SEDAHMVEXBWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O3/c1-5-17(3)26-24(29)18(4)27(15-20-8-7-9-21(25)14-20)23(28)16-30-22-12-10-19(6-2)11-13-22/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide?
2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 475.43 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 133226357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).