N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide

C14H19BrN2O3 — CID 30764659

IUPACN-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-10(2)14(19)17-7-6-16-13(18)9-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOZJIQUQTBJXHW-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 30764659) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID30764659
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-10(2)14(19)17-7-6-16-13(18)9-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQOZJIQUQTBJXHW-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.72
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

2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
2-(3-bromophenoxy)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
CID 112772196
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide (CID 30764659) is N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)COc1cccc(Br)c1.
What is the InChIKey of N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is QOZJIQUQTBJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10(2)14(19)17-7-6-16-13(18)9-20-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 343.22 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 30764659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).