N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide

C22H28N2O2 — CID 113058709

IUPACN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)20-10-12-21(13-11-20)24(18(3)25)16-15-23-22(26)14-9-19-7-5-4-6-8-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,23,26)
InChIKeyZIKBAQQXAUMUBV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.91
Rot. Bonds8

About N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide

N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide (PubChem CID 113058709) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
PubChem CID113058709
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)20-10-12-21(13-11-20)24(18(3)25)16-15-23-22(26)14-9-19-7-5-4-6-8-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,23,26)
InChIKeyZIKBAQQXAUMUBV-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenylpropanamide
CID 113052541
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide (CID 113058709) is N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide?
The InChIKey is ZIKBAQQXAUMUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)20-10-12-21(13-11-20)24(18(3)25)16-15-23-22(26)14-9-19-7-5-4-6-8-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide?
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113058709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).