N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

C22H28N2O3 — CID 46761066

IUPACN-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1C
InChIInChI=1S/C22H28N2O3/c1-6-20(25)24-19-13-17(10-7-15(19)2)23-21(26)14-27-18-11-8-16(9-12-18)22(3,4)5/h7-13H,6,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyXMSQUBPVXIPJAJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.66
Rot. Bonds6

About N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 46761066) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID46761066
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1C
InChIInChI=1S/C22H28N2O3/c1-6-20(25)24-19-13-17(10-7-15(19)2)23-21(26)14-27-18-11-8-16(9-12-18)22(3,4)5/h7-13H,6,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyXMSQUBPVXIPJAJ-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 1409597
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (CID 46761066) is N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1C.
What is the InChIKey of N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is XMSQUBPVXIPJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-20(25)24-19-13-17(10-7-15(19)2)23-21(26)14-27-18-11-8-16(9-12-18)22(3,4)5/h7-13H,6,14H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 46761066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).