N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide

C21H26BrN3O4 — CID 24681253

IUPACN-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C21H26BrN3O4/c1-4-28-15-10-11-19(29-5-2)18(12-15)24-21(27)14-25(3)13-20(26)23-17-9-7-6-8-16(17)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyFPSYUOFKSCTQGU-UHFFFAOYSA-N
MW464.36 g/mol
LogP3.76
Rot. Bonds10

About N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 24681253) has the molecular formula C21H26BrN3O4 and a molecular weight of 464.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID24681253
Molecular FormulaC21H26BrN3O4
Molecular Weight464.36 g/mol
Exact Mass463.11
IUPAC NameN-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C21H26BrN3O4/c1-4-28-15-10-11-19(29-5-2)18(12-15)24-21(27)14-25(3)13-20(26)23-17-9-7-6-8-16(17)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyFPSYUOFKSCTQGU-UHFFFAOYSA-N
XLogP3.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
CID 38508447
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566060
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2,5-diethoxyphenyl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]acetamide
CID 24565625
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 24681253) is N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide is CCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FPSYUOFKSCTQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4/c1-4-28-15-10-11-19(29-5-2)18(12-15)24-21(27)14-25(3)13-20(26)23-17-9-7-6-8-16(17)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 464.36 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 24681253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).