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

C24H31FN2O5 — CID 133153837

IUPACN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H31FN2O5/c1-16(23(29)26-24(2,3)4)27(14-17-9-7-8-10-21(17)25)22(28)15-32-20-12-18(30-5)11-19(13-20)31-6/h7-13,16H,14-15H2,1-6H3,(H,26,29)
InChIKeyDQSZNEKWJRPWKZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.55
Rot. Bonds9

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

N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide (PubChem CID 133153837) has the molecular formula C24H31FN2O5 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
PubChem CID133153837
Molecular FormulaC24H31FN2O5
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H31FN2O5/c1-16(23(29)26-24(2,3)4)27(14-17-9-7-8-10-21(17)25)22(28)15-32-20-12-18(30-5)11-19(13-20)31-6/h7-13,16H,14-15H2,1-6H3,(H,26,29)
InChIKeyDQSZNEKWJRPWKZ-UHFFFAOYSA-N
XLogP3.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132714680
N-tert-butyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133259636
N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 133145749
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133145707
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709165
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100630666
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133236106
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
(2R)-N-tert-butyl-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 125106092
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
CID 132666400
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132674608
2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132612983

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide (CID 133153837) is N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide is COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The InChIKey is DQSZNEKWJRPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O5/c1-16(23(29)26-24(2,3)4)27(14-17-9-7-8-10-21(17)25)22(28)15-32-20-12-18(30-5)11-19(13-20)31-6/h7-13,16H,14-15H2,1-6H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide has a molecular weight of 446.52 g/mol, XLogP of 3.55, 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-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 133153837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).