4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide

C21H26N2O3 — CID 43888226

IUPAC4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(26-18-12-8-16(9-13-18)21(2,3)4)19(24)23-17-10-6-15(7-11-17)20(25)22-5/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyLCRNMQLVQHAWDI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds5

About 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide

4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide (PubChem CID 43888226) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
PubChem CID43888226
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-14(26-18-12-8-16(9-13-18)21(2,3)4)19(24)23-17-10-6-15(7-11-17)20(25)22-5/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyLCRNMQLVQHAWDI-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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
propan-2-yl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203456
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
cyclohexyl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203455

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide (CID 43888226) is 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide?
The InChIKey is LCRNMQLVQHAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(26-18-12-8-16(9-13-18)21(2,3)4)19(24)23-17-10-6-15(7-11-17)20(25)22-5/h6-14H,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide?
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 43888226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).