3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C18H29N3O2 — CID 113125984

IUPAC3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29N3O2/c1-13-11-14(2)18(15(3)12-13)21(16(4)22)9-7-17(23)19-8-10-20(5)6/h11-12H,7-10H2,1-6H3,(H,19,23)
InChIKeyDVBNFBTXEROHON-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.03
Rot. Bonds7

About 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113125984) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113125984
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29N3O2/c1-13-11-14(2)18(15(3)12-13)21(16(4)22)9-7-17(23)19-8-10-20(5)6/h11-12H,7-10H2,1-6H3,(H,19,23)
InChIKeyDVBNFBTXEROHON-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113125984) is 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is DVBNFBTXEROHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-11-14(2)18(15(3)12-13)21(16(4)22)9-7-17(23)19-8-10-20(5)6/h11-12H,7-10H2,1-6H3,(H,19,23).
What are the key properties of 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113125984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).