2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide

C26H34Cl2N2O4 — CID 132681362

IUPAC2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H34Cl2N2O4/c1-5-15-29-26(32)18(4)30(17-20-21(27)9-8-10-22(20)28)25(31)14-12-19-11-13-23(33-6-2)24(16-19)34-7-3/h8-11,13,16,18H,5-7,12,14-15,17H2,1-4H3,(H,29,32)
InChIKeyXYRZERJIQXMJGA-UHFFFAOYSA-N
MW509.47 g/mol
LogP5.67
Rot. Bonds13

About 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide

2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide (PubChem CID 132681362) has the molecular formula C26H34Cl2N2O4 and a molecular weight of 509.47 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
PubChem CID132681362
Molecular FormulaC26H34Cl2N2O4
Molecular Weight509.47 g/mol
Exact Mass508.19
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C26H34Cl2N2O4/c1-5-15-29-26(32)18(4)30(17-20-21(27)9-8-10-22(20)28)25(31)14-12-19-11-13-23(33-6-2)24(16-19)34-7-3/h8-11,13,16,18H,5-7,12,14-15,17H2,1-4H3,(H,29,32)
InChIKeyXYRZERJIQXMJGA-UHFFFAOYSA-N
XLogP5.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
CID 132672126
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505851
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505860
(2R)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100515868
(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]butanamide
CID 100741421
2-[(4-bromophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132619996
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100589664
(2R)-2-[(3-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 100552891
(2R)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100516357
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675428
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 132624430
(2S)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521859

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide (CID 132681362) is 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
The InChIKey is XYRZERJIQXMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O4/c1-5-15-29-26(32)18(4)30(17-20-21(27)9-8-10-22(20)28)25(31)14-12-19-11-13-23(33-6-2)24(16-19)34-7-3/h8-11,13,16,18H,5-7,12,14-15,17H2,1-4H3,(H,29,32).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide?
2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide has a molecular weight of 509.47 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132681362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).