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

C16H24ClN3O2 — CID 113172179

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-12-6-7-14(10-15(12)17)20(13(2)21)11-16(22)18-8-5-9-19(3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22)
InChIKeyPRKNBYYHDCFOJD-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.07
Rot. Bonds7

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

2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113172179) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113172179
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O2/c1-12-6-7-14(10-15(12)17)20(13(2)21)11-16(22)18-8-5-9-19(3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22)
InChIKeyPRKNBYYHDCFOJD-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.07
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-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
methyl 3-[acetyl-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176520
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113172179) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CC(=O)NCCCN(C)C)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is PRKNBYYHDCFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-12-6-7-14(10-15(12)17)20(13(2)21)11-16(22)18-8-5-9-19(3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,22).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113172179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).