2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide

C26H28Cl2N2O2 — CID 132943358

IUPAC2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C26H28Cl2N2O2/c1-3-24(26(32)29-4-2)30(17-21-22(27)13-8-14-23(21)28)25(31)16-15-19-11-7-10-18-9-5-6-12-20(18)19/h5-14,24H,3-4,15-17H2,1-2H3,(H,29,32)
InChIKeyXADXMLWQWDTSCR-UHFFFAOYSA-N
MW471.43 g/mol
LogP6.02
Rot. Bonds9

About 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide

2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide (PubChem CID 132943358) has the molecular formula C26H28Cl2N2O2 and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide
PubChem CID132943358
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.43 g/mol
Exact Mass470.15
IUPAC Name2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C26H28Cl2N2O2/c1-3-24(26(32)29-4-2)30(17-21-22(27)13-8-14-23(21)28)25(31)16-15-19-11-7-10-18-9-5-6-12-20(18)19/h5-14,24H,3-4,15-17H2,1-2H3,(H,29,32)
InChIKeyXADXMLWQWDTSCR-UHFFFAOYSA-N
XLogP6.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 100742120
N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132986806
(2S)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100595884
(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 132669053
2-[[2-(2,6-dichlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132666501
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661437
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132678054
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide
CID 132671276
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 100542809
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603825

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide (CID 132943358) is 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide?
The InChIKey is XADXMLWQWDTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O2/c1-3-24(26(32)29-4-2)30(17-21-22(27)13-8-14-23(21)28)25(31)16-15-19-11-7-10-18-9-5-6-12-20(18)19/h5-14,24H,3-4,15-17H2,1-2H3,(H,29,32).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide?
2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide has a molecular weight of 471.43 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 132943358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).