2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide

C15H22BrN3O2 — CID 115745368

IUPAC2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
SMILESCC(NCC(=O)Nc1cccc(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22BrN3O2/c1-10(14(21)19-15(2,3)4)17-9-13(20)18-12-7-5-6-11(16)8-12/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyXQTQVBHVENZYLB-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide

2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide (PubChem CID 115745368) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
PubChem CID115745368
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
SMILESCC(NCC(=O)Nc1cccc(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22BrN3O2/c1-10(14(21)19-15(2,3)4)17-9-13(20)18-12-7-5-6-11(16)8-12/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyXQTQVBHVENZYLB-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
N-(3-bromophenyl)-2-(pent-1-yn-3-ylamino)acetamide
CID 106229271
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide (CID 115745368) is 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide is CC(NCC(=O)Nc1cccc(Br)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide?
The InChIKey is XQTQVBHVENZYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-10(14(21)19-15(2,3)4)17-9-13(20)18-12-7-5-6-11(16)8-12/h5-8,10,17H,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide?
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide has a molecular weight of 356.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 115745368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).