(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide

C15H23BrN2O2 — CID 103830977

IUPAC(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-13(17)15(19)18(2)10-11-9-12(16)7-8-14(11)20-3/h7-9,13H,4-6,10,17H2,1-3H3/t13-/m0/s1
InChIKeyXRMCQYCQPUOANH-ZDUSSCGKSA-N
MW343.27 g/mol
LogP2.93
Rot. Bonds7

About (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide

(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide (PubChem CID 103830977) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
PubChem CID103830977
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-13(17)15(19)18(2)10-11-9-12(16)7-8-14(11)20-3/h7-9,13H,4-6,10,17H2,1-3H3/t13-/m0/s1
InChIKeyXRMCQYCQPUOANH-ZDUSSCGKSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 60936876
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
3-amino-1-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116584145
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide (CID 103830977) is (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)Cc1cc(Br)ccc1OC.
What is the InChIKey of (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide?
The InChIKey is XRMCQYCQPUOANH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-5-6-13(17)15(19)18(2)10-11-9-12(16)7-8-14(11)20-3/h7-9,13H,4-6,10,17H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide?
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide has a molecular weight of 343.27 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 103830977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).