4-(3-bromophenoxy)-N-tert-butylbutanamide

C14H20BrNO2 — CID 112763236

IUPAC4-(3-bromophenoxy)-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)16-13(17)8-5-9-18-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyZGCOIQVIBYECNP-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.52
Rot. Bonds5

About 4-(3-bromophenoxy)-N-tert-butylbutanamide

4-(3-bromophenoxy)-N-tert-butylbutanamide (PubChem CID 112763236) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-tert-butylbutanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-tert-butylbutanamide
PubChem CID112763236
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(3-bromophenoxy)-N-tert-butylbutanamide
SMILESCC(C)(C)NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)16-13(17)8-5-9-18-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyZGCOIQVIBYECNP-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
2-[2-(3-bromophenoxy)ethyl]-1-tert-butylguanidine
CID 111078161
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-tert-butylbutanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-tert-butylbutanamide (CID 112763236) is 4-(3-bromophenoxy)-N-tert-butylbutanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-tert-butylbutanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-tert-butylbutanamide is CC(C)(C)NC(=O)CCCOc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-tert-butylbutanamide?
The InChIKey is ZGCOIQVIBYECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)16-13(17)8-5-9-18-12-7-4-6-11(15)10-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(3-bromophenoxy)-N-tert-butylbutanamide?
4-(3-bromophenoxy)-N-tert-butylbutanamide has a molecular weight of 314.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-tert-butylbutanamide is sourced from PubChem (CID 112763236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).