2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide

C22H26Cl2N2O3 — CID 132671276

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-5-2)26(14-17-18(23)7-6-8-19(17)24)21(27)13-15-9-11-16(29-3)12-10-15/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyLMDPZMMLPKVGJE-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.49
Rot. Bonds9

About 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide

2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide (PubChem CID 132671276) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide
PubChem CID132671276
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-5-2)26(14-17-18(23)7-6-8-19(17)24)21(27)13-15-9-11-16(29-3)12-10-15/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28)
InChIKeyLMDPZMMLPKVGJE-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675208
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132661957
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylbutanamide
CID 100603806
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621364
N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712866
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132711638
N-tert-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132615423
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 100739752
2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132664125
(2S)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100610257
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100625835
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-ethylbutanamide
CID 132659399

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide (CID 132671276) is 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide?
The InChIKey is LMDPZMMLPKVGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3/c1-4-20(22(28)25-5-2)26(14-17-18(23)7-6-8-19(17)24)21(27)13-15-9-11-16(29-3)12-10-15/h6-12,20H,4-5,13-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide has a molecular weight of 437.37 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132671276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).