(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C19H23BrN2O2 — CID 9494784

IUPAC(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-4-24-18-10-8-15(9-11-18)13-22(3)14(2)19(23)21-17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyUXXVRWFIAKGNBH-CQSZACIVSA-N
MW391.31 g/mol
LogP4.31
Rot. Bonds7

About (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9494784) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID9494784
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-4-24-18-10-8-15(9-11-18)13-22(3)14(2)19(23)21-17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyUXXVRWFIAKGNBH-CQSZACIVSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
3-[[1-(3-bromoanilino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 122120144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 9494784) is (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is UXXVRWFIAKGNBH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-4-24-18-10-8-15(9-11-18)13-22(3)14(2)19(23)21-17-7-5-6-16(20)12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 391.31 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9494784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).