3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide

C21H24Cl2N2O3 — CID 34982405

IUPAC3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCOc1ccc(OC)c(CN(CCC(=O)Nc2c(Cl)cccc2Cl)C2CC2)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-16-8-9-19(28-2)14(12-16)13-25(15-6-7-15)11-10-20(26)24-21-17(22)4-3-5-18(21)23/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyDOTSCMWMTKUKQR-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.00
Rot. Bonds9

About 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide

3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 34982405) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID34982405
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC Name3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCOc1ccc(OC)c(CN(CCC(=O)Nc2c(Cl)cccc2Cl)C2CC2)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-16-8-9-19(28-2)14(12-16)13-25(15-6-7-15)11-10-20(26)24-21-17(22)4-3-5-18(21)23/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyDOTSCMWMTKUKQR-UHFFFAOYSA-N
XLogP5.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 54925840
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 60834197
N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 30101864
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 84568615

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide (CID 34982405) is 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide is COc1ccc(OC)c(CN(CCC(=O)Nc2c(Cl)cccc2Cl)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is DOTSCMWMTKUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-27-16-8-9-19(28-2)14(12-16)13-25(15-6-7-15)11-10-20(26)24-21-17(22)4-3-5-18(21)23/h3-5,8-9,12,15H,6-7,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide?
3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 423.34 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 34982405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).