N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide

C21H26N2O3 — CID 17199498

IUPACN-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-12-18(13-7-14)26-15(2)19(24)22-17-10-8-16(9-11-17)20(25)23-21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyMQOJUCJQMLENDI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds5

About N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide

N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide (PubChem CID 17199498) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
PubChem CID17199498
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-12-18(13-7-14)26-15(2)19(24)22-17-10-8-16(9-11-17)20(25)23-21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyMQOJUCJQMLENDI-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide (CID 17199498) is N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide is Cc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide?
The InChIKey is MQOJUCJQMLENDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-6-12-18(13-7-14)26-15(2)19(24)22-17-10-8-16(9-11-17)20(25)23-21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide?
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17199498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).