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

C15H23N3O2 — CID 113167666

IUPAC2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-12-5-7-14(8-6-12)18(13(2)19)11-15(20)16-9-10-17(3)4/h5-8H,9-11H2,1-4H3,(H,16,20)
InChIKeyNUBUZFMMOFJTSV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds6

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

2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 113167666) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID113167666
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-12-5-7-14(8-6-12)18(13(2)19)11-15(20)16-9-10-17(3)4/h5-8H,9-11H2,1-4H3,(H,16,20)
InChIKeyNUBUZFMMOFJTSV-UHFFFAOYSA-N
XLogP1.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
CID 113169744

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide (CID 113167666) is 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide is CC(=O)N(CC(=O)NCCN(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is NUBUZFMMOFJTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-5-7-14(8-6-12)18(13(2)19)11-15(20)16-9-10-17(3)4/h5-8H,9-11H2,1-4H3,(H,16,20).
What are the key properties of 2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.03, 6 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-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 113167666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).