2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide

C16H25N3O2 — CID 113167668

IUPAC2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-13-6-8-15(9-7-13)19(14(2)20)12-16(21)17-10-5-11-18(3)4/h6-9H,5,10-12H2,1-4H3,(H,17,21)
InChIKeyDNZMZDQGRNKXHR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.42
Rot. Bonds7

About 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113167668) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113167668
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-13-6-8-15(9-7-13)19(14(2)20)12-16(21)17-10-5-11-18(3)4/h6-9H,5,10-12H2,1-4H3,(H,17,21)
InChIKeyDNZMZDQGRNKXHR-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113167668) is 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is DNZMZDQGRNKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-6-8-15(9-7-13)19(14(2)20)12-16(21)17-10-5-11-18(3)4/h6-9H,5,10-12H2,1-4H3,(H,17,21).
What are the key properties of 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113167668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).