2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C16H25BrN2O — CID 66816834

IUPAC2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C16H25BrN2O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-5-7-15(17)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyCSFLFVFOOZSLMP-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.23
Rot. Bonds7

About 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 66816834) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID66816834
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)Cc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C16H25BrN2O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-5-7-15(17)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyCSFLFVFOOZSLMP-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
CID 71944466
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
CID 78843902
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 66816834) is 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)Cc1ccc(Br)cc1)C(C)C.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is CSFLFVFOOZSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-5-7-15(17)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 66816834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).