N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

C25H34N2O2 — CID 132704511

IUPACN-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C25H34N2O2/c1-18-12-13-22(16-19(18)2)17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29)
InChIKeyNSYFERJVIOSGLQ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.22
Rot. Bonds7

About N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132704511) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132704511
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C25H34N2O2/c1-18-12-13-22(16-19(18)2)17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29)
InChIKeyNSYFERJVIOSGLQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132947782
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132718702
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-tert-butylbutanamide
CID 132704423
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-tert-butylpropanamide
CID 132738348
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132707152
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
N-tert-butyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132727869
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132704511) is N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is Cc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is NSYFERJVIOSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18-12-13-22(16-19(18)2)17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.22, 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-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132704511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).