N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide

C14H21BrN2O — CID 115158174

IUPACN-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-13(18)17-10-14(2,3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyVGOWOCZYFYLFAT-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide

N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide (PubChem CID 115158174) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
PubChem CID115158174
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCC(C)(C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-13(18)17-10-14(2,3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyVGOWOCZYFYLFAT-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158146
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
3-[[2-(2-bromophenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122007312
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide (CID 115158174) is N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide is CCNCC(=O)NCC(C)(C)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The InChIKey is VGOWOCZYFYLFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-16-9-13(18)17-10-14(2,3)11-7-5-6-8-12(11)15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 115158174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).