3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C15H24ClN3O — CID 109016268

IUPAC3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11-9-12(2)15(13(16)10-11)18-6-5-14(20)17-7-8-19(3)4/h9-10,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyBHAOUECVTWWGCJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.44
Rot. Bonds7

About 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 109016268) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID109016268
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-11-9-12(2)15(13(16)10-11)18-6-5-14(20)17-7-8-19(3)4/h9-10,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyBHAOUECVTWWGCJ-UHFFFAOYSA-N
XLogP2.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096369
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 109016268) is 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide is Cc1cc(C)c(NCCC(=O)NCCN(C)C)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is BHAOUECVTWWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11-9-12(2)15(13(16)10-11)18-6-5-14(20)17-7-8-19(3)4/h9-10,18H,5-8H2,1-4H3,(H,17,20).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 297.83 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 109016268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).