3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C19H31N3O2 — CID 113126259

IUPAC3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H31N3O2/c1-14(2)17-9-7-8-15(3)19(17)22(16(4)23)12-10-18(24)20-11-13-21(5)6/h7-9,14H,10-13H2,1-6H3,(H,20,24)
InChIKeyMNXXDXHXUZEBCY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.54
Rot. Bonds8

About 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113126259) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113126259
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H31N3O2/c1-14(2)17-9-7-8-15(3)19(17)22(16(4)23)12-10-18(24)20-11-13-21(5)6/h7-9,14H,10-13H2,1-6H3,(H,20,24)
InChIKeyMNXXDXHXUZEBCY-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
CID 113063126
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-cycloheptylpropanamide
CID 113126298
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
CID 113063100
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
N-[2-(N-acetyl-2-methyl-6-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113058958
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113133128

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113126259) is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1c(C)cccc1C(C)C.
What is the InChIKey of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is MNXXDXHXUZEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)17-9-7-8-15(3)19(17)22(16(4)23)12-10-18(24)20-11-13-21(5)6/h7-9,14H,10-13H2,1-6H3,(H,20,24).
What are the key properties of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113126259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).