N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide

C13H18BrNO3 — CID 95607825

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-10(11-4-3-5-12(14)8-11)15-13(16)9-18-7-6-17-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFADZHPRDQUNIPE-SNVBAGLBSA-N
MW316.20 g/mol
LogP2.29
Rot. Bonds7

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 95607825) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
PubChem CID95607825
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO3/c1-10(11-4-3-5-12(14)8-11)15-13(16)9-18-7-6-17-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFADZHPRDQUNIPE-SNVBAGLBSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55702572
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide (CID 95607825) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is FADZHPRDQUNIPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10(11-4-3-5-12(14)8-11)15-13(16)9-18-7-6-17-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 316.20 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 95607825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).