2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide

C21H25Cl2N3O4 — CID 42707369

IUPAC2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H25Cl2N3O4/c1-13(24-21(28)25-17-7-6-15(22)12-16(17)23)20(27)26(2)10-9-14-5-8-18(29-3)19(11-14)30-4/h5-8,11-13H,9-10H2,1-4H3,(H2,24,25,28)
InChIKeyPUCORTVFGAWISN-UHFFFAOYSA-N
MW454.35 g/mol
LogP4.22
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide

2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 42707369) has the molecular formula C21H25Cl2N3O4 and a molecular weight of 454.35 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID42707369
Molecular FormulaC21H25Cl2N3O4
Molecular Weight454.35 g/mol
Exact Mass453.12
IUPAC Name2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H25Cl2N3O4/c1-13(24-21(28)25-17-7-6-15(22)12-16(17)23)20(27)26(2)10-9-14-5-8-18(29-3)19(11-14)30-4/h5-8,11-13H,9-10H2,1-4H3,(H2,24,25,28)
InChIKeyPUCORTVFGAWISN-UHFFFAOYSA-N
XLogP4.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 42707368
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42707376
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42707361
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-N,3-dimethylbutanamide
CID 42706026
3-(2,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 144669432
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
(4-methylphenyl)methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22364288
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667100

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide (CID 42707369) is 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide is COc1ccc(CCN(C)C(=O)C(C)NC(=O)Nc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is PUCORTVFGAWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4/c1-13(24-21(28)25-17-7-6-15(22)12-16(17)23)20(27)26(2)10-9-14-5-8-18(29-3)19(11-14)30-4/h5-8,11-13H,9-10H2,1-4H3,(H2,24,25,28).
What are the key properties of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide?
2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 454.35 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 42707369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).