2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide

C22H28N2O2 — CID 113169640

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C22H28N2O2/c1-17(2)20-13-7-8-14-21(20)24(18(3)25)16-22(26)23-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,23,26)
InChIKeyOKTLKYHANNLWII-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.91
Rot. Bonds8

About 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 113169640) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
PubChem CID113169640
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C22H28N2O2/c1-17(2)20-13-7-8-14-21(20)24(18(3)25)16-22(26)23-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,23,26)
InChIKeyOKTLKYHANNLWII-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
CID 113169585
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113169641
2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide (CID 113169640) is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide is CC(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is OKTLKYHANNLWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)20-13-7-8-14-21(20)24(18(3)25)16-22(26)23-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,17H,9,12,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide 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 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113169640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).