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

C22H28N2O2 — CID 132653247

IUPACN-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-4-20(22(26)23-3)24(14-13-18-10-6-5-7-11-18)21(25)16-19-12-8-9-17(2)15-19/h5-12,15,20H,4,13-14,16H2,1-3H3,(H,23,26)
InChIKeyYIOYAJOXQFTZMZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.13
Rot. Bonds8

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

N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132653247) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132653247
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-4-20(22(26)23-3)24(14-13-18-10-6-5-7-11-18)21(25)16-19-12-8-9-17(2)15-19/h5-12,15,20H,4,13-14,16H2,1-3H3,(H,23,26)
InChIKeyYIOYAJOXQFTZMZ-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100608811
2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylbutanamide
CID 132662983
N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132653245
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132657067
N-methyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 132763603
N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704460
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
N-butyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132714304
(2R)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700318

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 132653247) is N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is CCC(C(=O)NC)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is YIOYAJOXQFTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-20(22(26)23-3)24(14-13-18-10-6-5-7-11-18)21(25)16-19-12-8-9-17(2)15-19/h5-12,15,20H,4,13-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132653247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).