2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide

C21H26N2O2 — CID 113168307

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-11-12-20(14-17(16)2)23(18(3)24)15-21(25)22-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25)
InChIKeyXMASSNYNJGJLQJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.41
Rot. Bonds7

About 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide

2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 113168307) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
PubChem CID113168307
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-11-12-20(14-17(16)2)23(18(3)24)15-21(25)22-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25)
InChIKeyXMASSNYNJGJLQJ-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.41
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-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-4-tert-butylanilino)-N-(2-phenylethyl)acetamide
CID 113170587
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide (CID 113168307) is 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide is CC(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is XMASSNYNJGJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-11-12-20(14-17(16)2)23(18(3)24)15-21(25)22-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14H,7,10,13,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113168307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).