2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide

C22H27ClN2O2 — CID 132658505

IUPAC2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H27ClN2O2/c1-4-20(22(27)24-5-2)25(15-18-11-6-7-12-19(18)23)21(26)14-17-10-8-9-16(3)13-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyYUAHEYODVLTUTL-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.13
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide

2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide (PubChem CID 132658505) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide
PubChem CID132658505
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H27ClN2O2/c1-4-20(22(27)24-5-2)25(15-18-11-6-7-12-19(18)23)21(26)14-17-10-8-9-16(3)13-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyYUAHEYODVLTUTL-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylbutanamide
CID 132662983
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132655627
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-ethylbutanamide
CID 132659399
2-[(2-chlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-ethylbutanamide
CID 132944738
(2R)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700318
2-[(2-chlorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132719836
2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132658446
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 100725703
2-[[2-(2,6-dichlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132666501
2-[[2-(4-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661425
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide (CID 132658505) is 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide?
The InChIKey is YUAHEYODVLTUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-4-20(22(27)24-5-2)25(15-18-11-6-7-12-19(18)23)21(26)14-17-10-8-9-16(3)13-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide?
2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide has a molecular weight of 386.92 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132658505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).