3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide

C22H28N2O3 — CID 113129839

IUPAC3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-11-9-20(10-12-21)24(18(4)25)14-13-22(26)23-15-19-7-5-17(3)6-8-19/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyDLWNSAYFUJLCPI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.84
Rot. Bonds8

About 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide

3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113129839) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113129839
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-11-9-20(10-12-21)24(18(4)25)14-13-22(26)23-15-19-7-5-17(3)6-8-19/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyDLWNSAYFUJLCPI-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 113129839) is 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(C)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is DLWNSAYFUJLCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)27-21-11-9-20(10-12-21)24(18(4)25)14-13-22(26)23-15-19-7-5-17(3)6-8-19/h5-12,16H,13-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide?
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113129839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).