3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

C22H28N2O3 — CID 113119018

IUPAC3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)23-22(26)14-15-24(18(4)25)17(3)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeyAPJGTDNPBBXNNA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.41
Rot. Bonds8

About 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113119018) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113119018
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)23-22(26)14-15-24(18(4)25)17(3)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeyAPJGTDNPBBXNNA-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
ethyl 4-[3-[acetyl(1-phenylethyl)amino]propanoylamino]benzoate
CID 113119044
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113122554
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 113119018) is 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is APJGTDNPBBXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)23-22(26)14-15-24(18(4)25)17(3)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113119018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).