N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

C14H21BrN2O — CID 115158337

IUPACN-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOENNSPKMVHFABR-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 115158337) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID115158337
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOENNSPKMVHFABR-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 115158337) is N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)CCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is OENNSPKMVHFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).