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

C25H34N2O2 — CID 132704519

IUPACN-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-21-14-9-8-12-19(21)3)23(28)16-20-13-10-11-18(2)15-20/h8-15,22H,7,16-17H2,1-6H3,(H,26,29)
InChIKeyZTRXHAUEFUTRBI-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.57
Rot. Bonds7

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

N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 132704519) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID132704519
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-21-14-9-8-12-19(21)3)23(28)16-20-13-10-11-18(2)15-20/h8-15,22H,7,16-17H2,1-6H3,(H,26,29)
InChIKeyZTRXHAUEFUTRBI-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132708157
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147079
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
N-tert-butyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133147087
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
N-methyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132653245
2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611964
2-[benzyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-tert-butylbutanamide
CID 132710535
N-tert-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132610261
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (CID 132704519) is N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is ZTRXHAUEFUTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-21-14-9-8-12-19(21)3)23(28)16-20-13-10-11-18(2)15-20/h8-15,22H,7,16-17H2,1-6H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 394.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132704519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).