3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide

C22H28N2O3 — CID 113129840

IUPAC3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)24(18(4)25)15-14-22(26)23-17(3)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeyJEIFYKJOCTVUKL-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.09
Rot. Bonds8

About 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide

3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide (PubChem CID 113129840) 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-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
PubChem CID113129840
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)24(18(4)25)15-14-22(26)23-17(3)19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeyJEIFYKJOCTVUKL-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
CID 113123753
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129834
N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845447
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide (CID 113129840) is 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is JEIFYKJOCTVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)27-21-12-10-20(11-13-21)24(18(4)25)15-14-22(26)23-17(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-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide?
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.09, 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 113129840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).