N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

C23H31N3O4 — CID 55432537

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C23H31N3O4/c1-15-8-7-9-19(16(15)2)25-22(27)14-26(4)17(3)23(28)24-13-18-10-11-20(29-5)21(12-18)30-6/h7-12,17H,13-14H2,1-6H3,(H,24,28)(H,25,27)
InChIKeyDPRJHGQCJROUHF-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.90
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 55432537) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID55432537
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C23H31N3O4/c1-15-8-7-9-19(16(15)2)25-22(27)14-26(4)17(3)23(28)24-13-18-10-11-20(29-5)21(12-18)30-6/h7-12,17H,13-14H2,1-6H3,(H,24,28)(H,25,27)
InChIKeyDPRJHGQCJROUHF-UHFFFAOYSA-N
XLogP2.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288108
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 51167337
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86918944
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 55432676
N-(2,3-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434477
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 55430628

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (CID 55432537) is N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(CNC(=O)C(C)N(C)CC(=O)Nc2cccc(C)c2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is DPRJHGQCJROUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-15-8-7-9-19(16(15)2)25-22(27)14-26(4)17(3)23(28)24-13-18-10-11-20(29-5)21(12-18)30-6/h7-12,17H,13-14H2,1-6H3,(H,24,28)(H,25,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 413.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 55432537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).