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

C22H28N2O2 — CID 132653245

IUPACN-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C
InChIInChI=1S/C22H28N2O2/c1-5-20(22(26)23-4)24(15-18-11-8-9-16(2)13-18)21(25)14-19-12-7-6-10-17(19)3/h6-13,20H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyORJIDTFRZNZKNO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.40
Rot. Bonds7

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

N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (PubChem CID 132653245) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
PubChem CID132653245
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C
InChIInChI=1S/C22H28N2O2/c1-5-20(22(26)23-4)24(15-18-11-8-9-16(2)13-18)21(25)14-19-12-7-6-10-17(19)3/h6-13,20H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyORJIDTFRZNZKNO-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677108
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
2-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132675827
N-methyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 132763603
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylbutanamide
CID 132662983
N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132653247
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132681092
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100556882
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132659996
N-methyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132683263

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (CID 132653245) is N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C.
What is the InChIKey of N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The InChIKey is ORJIDTFRZNZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-20(22(26)23-4)24(15-18-11-8-9-16(2)13-18)21(25)14-19-12-7-6-10-17(19)3/h6-13,20H,5,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132653245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).