2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide

C21H27N3O2 — CID 113176712

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-17(25)24(20-13-11-19(12-14-20)23(2)3)16-21(26)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3,(H,22,26)
InChIKeyJOAIBUWTJYCBEG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds8

About 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide

2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide (PubChem CID 113176712) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
PubChem CID113176712
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-17(25)24(20-13-11-19(12-14-20)23(2)3)16-21(26)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3,(H,22,26)
InChIKeyJOAIBUWTJYCBEG-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide (CID 113176712) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide is CC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide?
The InChIKey is JOAIBUWTJYCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17(25)24(20-13-11-19(12-14-20)23(2)3)16-21(26)22-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113176712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).