N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide

C14H19BrN2O3 — CID 47038930

IUPACN-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVLSYAKARRKRXQE-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.86
Rot. Bonds8

About N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide

N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide (PubChem CID 47038930) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
PubChem CID47038930
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
SMILESCC(=O)NCCNC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVLSYAKARRKRXQE-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
N-(2-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
CID 47041102
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide (CID 47038930) is N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide is CC(=O)NCCNC(=O)CCCOc1ccccc1Br.
What is the InChIKey of N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide?
The InChIKey is VLSYAKARRKRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-11(18)16-8-9-17-14(19)7-4-10-20-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide?
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide has a molecular weight of 343.22 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide is sourced from PubChem (CID 47038930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).