N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

C25H34N2O3 — CID 132707157

IUPACN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-17-11-18(2)13-21(12-17)15-23(28)27(19(3)24(29)26-25(4,5)6)16-20-9-8-10-22(14-20)30-7/h8-14,19H,15-16H2,1-7H3,(H,26,29)
InChIKeyJXVNLAUIMZUACT-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.19
Rot. Bonds7

About N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132707157) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
PubChem CID132707157
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-17-11-18(2)13-21(12-17)15-23(28)27(19(3)24(29)26-25(4,5)6)16-20-9-8-10-22(14-20)30-7/h8-14,19H,15-16H2,1-7H3,(H,26,29)
InChIKeyJXVNLAUIMZUACT-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132655182
N-tert-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132708561
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523039
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132704905
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanamide
CID 132711062
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132714222
N-tert-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132711801
2-[(2-benzylsulfanylacetyl)-[(3-methoxyphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132711031
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132704874
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132707152
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132712885

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (CID 132707157) is N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is JXVNLAUIMZUACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17-11-18(2)13-21(12-17)15-23(28)27(19(3)24(29)26-25(4,5)6)16-20-9-8-10-22(14-20)30-7/h8-14,19H,15-16H2,1-7H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132707157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).