N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide

C21H27ClN2O4 — CID 46630581

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-13-10-17(19(27-5)11-16(13)22)23-21(25)14(2)24(3)12-15-8-7-9-18(26-4)20(15)28-6/h7-11,14H,12H2,1-6H3,(H,23,25)
InChIKeyWNTQWKKSFBDODB-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.13
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 46630581) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
PubChem CID46630581
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-13-10-17(19(27-5)11-16(13)22)23-21(25)14(2)24(3)12-15-8-7-9-18(26-4)20(15)28-6/h7-11,14H,12H2,1-6H3,(H,23,25)
InChIKeyWNTQWKKSFBDODB-UHFFFAOYSA-N
XLogP4.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9169420
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954536

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide (CID 46630581) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)N(C)Cc1cccc(OC)c1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is WNTQWKKSFBDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-13-10-17(19(27-5)11-16(13)22)23-21(25)14(2)24(3)12-15-8-7-9-18(26-4)20(15)28-6/h7-11,14H,12H2,1-6H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 406.91 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 46630581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).