(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide

C18H21BrN2O2 — CID 9039901

IUPAC(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(21(2)12-14-7-9-15(19)10-8-14)18(22)20-16-5-4-6-17(11-16)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyMAHZTPUHXZKPFO-ZDUSSCGKSA-N
MW377.28 g/mol
LogP3.92
Rot. Bonds6

About (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide

(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide (PubChem CID 9039901) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
PubChem CID9039901
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(21(2)12-14-7-9-15(19)10-8-14)18(22)20-16-5-4-6-17(11-16)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyMAHZTPUHXZKPFO-ZDUSSCGKSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356827
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide (CID 9039901) is (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)c1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is MAHZTPUHXZKPFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(21(2)12-14-7-9-15(19)10-8-14)18(22)20-16-5-4-6-17(11-16)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide?
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 377.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 9039901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).