2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide

C14H21BrN2O — CID 115152840

IUPAC2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-13(2,9-17-12(18)14(3,4)16)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3,(H,17,18)
InChIKeyRGSIHDGGWHOBQG-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide

2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide (PubChem CID 115152840) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
PubChem CID115152840
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-13(2,9-17-12(18)14(3,4)16)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3,(H,17,18)
InChIKeyRGSIHDGGWHOBQG-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158174
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
3-[[2-(2-bromophenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122007312
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide (CID 115152840) is 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide is CC(C)(N)C(=O)NCC(C)(C)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide?
The InChIKey is RGSIHDGGWHOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-13(2,9-17-12(18)14(3,4)16)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide?
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide is sourced from PubChem (CID 115152840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).