2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide

C25H34N2O2 — CID 132704423

IUPAC2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-20-11-9-8-10-12-20)23(28)16-21-14-13-18(2)19(3)15-21/h8-15,22H,7,16-17H2,1-6H3,(H,26,29)
InChIKeyOVMCHTDINGGJRT-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.57
Rot. Bonds7

About 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide

2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide (PubChem CID 132704423) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
PubChem CID132704423
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-20-11-9-8-10-12-20)23(28)16-21-14-13-18(2)19(3)15-21/h8-15,22H,7,16-17H2,1-6H3,(H,26,29)
InChIKeyOVMCHTDINGGJRT-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-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132657130
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132708157
2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-tert-butylbutanamide
CID 132706968
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132704519
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198117
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132704509
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561703
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704511
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132659996
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide?
The IUPAC name of 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide (CID 132704423) is 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide?
The InChIKey is OVMCHTDINGGJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-7-22(24(29)26-25(4,5)6)27(17-20-11-9-8-10-12-20)23(28)16-21-14-13-18(2)19(3)15-21/h8-15,22H,7,16-17H2,1-6H3,(H,26,29).
What are the key properties of 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide?
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide 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 2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide is sourced from PubChem (CID 132704423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).