2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide

C14H20BrN3O2 — CID 40760060

IUPAC2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1cc(NC(=O)CN(CC(N)=O)C(C)C)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-9(2)18(7-13(16)19)8-14(20)17-11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyXANMPBKAOFQXRM-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.89
Rot. Bonds6

About 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 40760060) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID40760060
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1cc(NC(=O)CN(CC(N)=O)C(C)C)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-9(2)18(7-13(16)19)8-14(20)17-11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyXANMPBKAOFQXRM-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide
CID 95773145
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
(2S)-2-amino-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81433320
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide (CID 40760060) is 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide is Cc1cc(NC(=O)CN(CC(N)=O)C(C)C)ccc1Br.
What is the InChIKey of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is XANMPBKAOFQXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(2)18(7-13(16)19)8-14(20)17-11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 40760060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).