3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide

C12H17BrN2O2 — CID 114145152

IUPAC3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(7-14)17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyIKVMEEPAYGRSFN-YMNIQAILSA-N
MW301.18 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide (PubChem CID 114145152) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
PubChem CID114145152
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(7-14)17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyIKVMEEPAYGRSFN-YMNIQAILSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 106112545
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide (CID 114145152) is 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide is COC(CN)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide?
The InChIKey is IKVMEEPAYGRSFN-YMNIQAILSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(9-3-5-10(13)6-4-9)15-12(16)11(7-14)17-2/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide?
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide has a molecular weight of 301.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 114145152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).