N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide

C21H25BrN4O4 — CID 26605007

IUPACN-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccccc1Br)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H25BrN4O4/c1-3-26(14-21(29)24-15-7-6-8-16(11-15)30-2)13-20(28)23-12-19(27)25-18-10-5-4-9-17(18)22/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyCPSZXMKWOPCNMD-UHFFFAOYSA-N
MW477.36 g/mol
LogP2.47
Rot. Bonds10

About N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide (PubChem CID 26605007) has the molecular formula C21H25BrN4O4 and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide
PubChem CID26605007
Molecular FormulaC21H25BrN4O4
Molecular Weight477.36 g/mol
Exact Mass476.11
IUPAC NameN-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccccc1Br)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H25BrN4O4/c1-3-26(14-21(29)24-15-7-6-8-16(11-15)30-2)13-20(28)23-12-19(27)25-18-10-5-4-9-17(18)22/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyCPSZXMKWOPCNMD-UHFFFAOYSA-N
XLogP2.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide (CID 26605007) is N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide is CCN(CC(=O)NCC(=O)Nc1ccccc1Br)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide?
The InChIKey is CPSZXMKWOPCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O4/c1-3-26(14-21(29)24-15-7-6-8-16(11-15)30-2)13-20(28)23-12-19(27)25-18-10-5-4-9-17(18)22/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide has a molecular weight of 477.36 g/mol, XLogP of 2.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 26605007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).