3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C16H25N3O2 — CID 113123546

IUPAC3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)19(14(2)20)11-9-16(21)17-10-12-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyKRRAJMRVKNUHLV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.42
Rot. Bonds7

About 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113123546) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113123546
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)19(14(2)20)11-9-16(21)17-10-12-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyKRRAJMRVKNUHLV-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 ≤ 500291.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
N-(4-chloro-3-oxobutyl)-N-(2-methylphenyl)acetamide
CID 104700970

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113123546) is 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is KRRAJMRVKNUHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)19(14(2)20)11-9-16(21)17-10-12-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 291.39 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 3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113123546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).