N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide

C13H18BrNO2 — CID 113344954

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(10-7-5-6-8-11(10)14)15-12(16)13(2,3)17-4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyLQXMQCWKLBWGCG-VIFPVBQESA-N
MW300.20 g/mol
LogP3.05
Rot. Bonds4

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 113344954) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
PubChem CID113344954
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(10-7-5-6-8-11(10)14)15-12(16)13(2,3)17-4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyLQXMQCWKLBWGCG-VIFPVBQESA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide (CID 113344954) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is LQXMQCWKLBWGCG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(10-7-5-6-8-11(10)14)15-12(16)13(2,3)17-4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 113344954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).