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

C25H34N2O5 — CID 132714680

IUPACN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O5/c1-17-10-8-9-11-19(17)15-27(18(2)24(29)26-25(3,4)5)23(28)16-32-22-13-20(30-6)12-21(14-22)31-7/h8-14,18H,15-16H2,1-7H3,(H,26,29)
InChIKeyMIIBOELQKMWZCB-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.72
Rot. Bonds9

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

N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132714680) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132714680
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O5/c1-17-10-8-9-11-19(17)15-27(18(2)24(29)26-25(3,4)5)23(28)16-32-22-13-20(30-6)12-21(14-22)31-7/h8-14,18H,15-16H2,1-7H3,(H,26,29)
InChIKeyMIIBOELQKMWZCB-UHFFFAOYSA-N
XLogP3.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133153837
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132615219
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707135
N-tert-butyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133259636
2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132655540
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132710496
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132711807
N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132704907
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708570
N-tert-butyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132704901
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
CID 132666400

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 132714680) is N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is MIIBOELQKMWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-17-10-8-9-11-19(17)15-27(18(2)24(29)26-25(3,4)5)23(28)16-32-22-13-20(30-6)12-21(14-22)31-7/h8-14,18H,15-16H2,1-7H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132714680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).