2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide

C15H23BrN2O — CID 103522146

IUPAC2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
SMILESCC(Cc1ccc(Br)cc1)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-11(9-12-5-7-13(16)8-6-12)17-10-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUAJQJITZXPFEOG-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide

2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide (PubChem CID 103522146) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
PubChem CID103522146
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
SMILESCC(Cc1ccc(Br)cc1)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-11(9-12-5-7-13(16)8-6-12)17-10-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUAJQJITZXPFEOG-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450
2-amino-N-[2-[[(2R)-1-(4-bromophenyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 93341408

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide (CID 103522146) is 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide is CC(Cc1ccc(Br)cc1)NCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide?
The InChIKey is UAJQJITZXPFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(9-12-5-7-13(16)8-6-12)17-10-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide?
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide has a molecular weight of 327.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide is sourced from PubChem (CID 103522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).