N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide

C20H25ClN2O2 — CID 55525219

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-13-9-14(2)19(18(21)10-13)22-20(24)15(3)23(4)12-16-7-6-8-17(11-16)25-5/h6-11,15H,12H2,1-5H3,(H,22,24)
InChIKeyBHEGZUHQRSVVSL-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.42
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 55525219) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID55525219
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-13-9-14(2)19(18(21)10-13)22-20(24)15(3)23(4)12-16-7-6-8-17(11-16)25-5/h6-11,15H,12H2,1-5H3,(H,22,24)
InChIKeyBHEGZUHQRSVVSL-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9432531
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356827
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide (CID 55525219) is N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide is COc1cccc(CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is BHEGZUHQRSVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13-9-14(2)19(18(21)10-13)22-20(24)15(3)23(4)12-16-7-6-8-17(11-16)25-5/h6-11,15H,12H2,1-5H3,(H,22,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 55525219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).