2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide

C15H21BrN2O3 — CID 9193534

IUPAC2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)17-13(19)9-18(4)14(20)10-21-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19)
InChIKeyNHURGPCKLDNITE-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.20
Rot. Bonds5

About 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide

2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide (PubChem CID 9193534) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
PubChem CID9193534
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)17-13(19)9-18(4)14(20)10-21-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19)
InChIKeyNHURGPCKLDNITE-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
4-(3-bromophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 9475836
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide (CID 9193534) is 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The InChIKey is NHURGPCKLDNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(2,3)17-13(19)9-18(4)14(20)10-21-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide has a molecular weight of 357.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 9193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).