(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

C20H25ClN2O2 — CID 9494910

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H25ClN2O2/c1-5-25-18-10-7-16(8-11-18)13-23(4)15(3)20(24)22-19-12-17(21)9-6-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyCAHGBUSYOCKRDY-OAHLLOKOSA-N
MW360.89 g/mol
LogP4.51
Rot. Bonds7

About (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9494910) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
PubChem CID9494910
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H25ClN2O2/c1-5-25-18-10-7-16(8-11-18)13-23(4)15(3)20(24)22-19-12-17(21)9-6-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyCAHGBUSYOCKRDY-OAHLLOKOSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8515292
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494909
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide (CID 9494910) is (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is CAHGBUSYOCKRDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-5-25-18-10-7-16(8-11-18)13-23(4)15(3)20(24)22-19-12-17(21)9-6-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9494910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).