N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide

C25H32Cl2N2O2 — CID 132720497

IUPACN-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
SMILESCCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H32Cl2N2O2/c1-6-18-10-12-19(13-11-18)14-15-23(30)29(17(2)24(31)28-25(3,4)5)16-20-21(26)8-7-9-22(20)27/h7-13,17H,6,14-16H2,1-5H3,(H,28,31)
InChIKeyKCYHRLZIXCDZPT-UHFFFAOYSA-N
MW463.45 g/mol
LogP5.82
Rot. Bonds8

About N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide

N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide (PubChem CID 132720497) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
PubChem CID132720497
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC NameN-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
SMILESCCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H32Cl2N2O2/c1-6-18-10-12-19(13-11-18)14-15-23(30)29(17(2)24(31)28-25(3,4)5)16-20-21(26)8-7-9-22(20)27/h7-13,17H,6,14-16H2,1-5H3,(H,28,31)
InChIKeyKCYHRLZIXCDZPT-UHFFFAOYSA-N
XLogP5.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706679
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 100595722
(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 125057337
(2S)-2-[(2,6-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100710308
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100597803
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132714894
2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133154001
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
CID 132706628
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132735267
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133194078
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 132736679
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132713867

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide (CID 132720497) is N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide is CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide?
The InChIKey is KCYHRLZIXCDZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-6-18-10-12-19(13-11-18)14-15-23(30)29(17(2)24(31)28-25(3,4)5)16-20-21(26)8-7-9-22(20)27/h7-13,17H,6,14-16H2,1-5H3,(H,28,31).
What are the key properties of N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide?
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide has a molecular weight of 463.45 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 132720497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).