3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide

C14H20BrN3O2 — CID 75382992

IUPAC3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(8-14(20)18(2)3)16-9-13(19)17-12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyGPLYIHBRPPZMIV-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.84
Rot. Bonds6

About 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide

3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide (PubChem CID 75382992) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
PubChem CID75382992
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(8-14(20)18(2)3)16-9-13(19)17-12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyGPLYIHBRPPZMIV-UHFFFAOYSA-N
XLogP1.84
TPSA61.44 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
CID 103949825

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide (CID 75382992) is 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide?
The InChIKey is GPLYIHBRPPZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(8-14(20)18(2)3)16-9-13(19)17-12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide?
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide has a molecular weight of 342.24 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 75382992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).