(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide

C15H21BrN2O2 — CID 119297793

IUPAC(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(17)14(19)18-10-15(5-7-20-8-6-15)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyDLRQDMGYJIZRLJ-LLVKDONJSA-N
MW341.25 g/mol
LogP1.96
Rot. Bonds4

About (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide

(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide (PubChem CID 119297793) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
PubChem CID119297793
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(17)14(19)18-10-15(5-7-20-8-6-15)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyDLRQDMGYJIZRLJ-LLVKDONJSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-methylpentanamide;hydrochloride
CID 119738820
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119738802
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]octanamide
CID 60535695
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55888742
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 55865433
N-[3-[[4-(3-bromophenyl)oxan-4-yl]methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55889121
(2S)-2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119325122

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide (CID 119297793) is (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide is C[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is DLRQDMGYJIZRLJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(17)14(19)18-10-15(5-7-20-8-6-15)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide?
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 341.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 119297793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).