2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide

C17H27N3O2 — CID 113160861

IUPAC2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CCCN(C)C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H27N3O2/c1-13-7-8-14(2)16(11-13)18-17(22)12-20(15(3)21)10-6-9-19(4)5/h7-8,11H,6,9-10,12H2,1-5H3,(H,18,22)
InChIKeyIEGMSJVXPSXJTJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.04
Rot. Bonds7

About 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113160861) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID113160861
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CCCN(C)C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H27N3O2/c1-13-7-8-14(2)16(11-13)18-17(22)12-20(15(3)21)10-6-9-19(4)5/h7-8,11H,6,9-10,12H2,1-5H3,(H,18,22)
InChIKeyIEGMSJVXPSXJTJ-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide (CID 113160861) is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide is CC(=O)N(CCCN(C)C)CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is IEGMSJVXPSXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-8-14(2)16(11-13)18-17(22)12-20(15(3)21)10-6-9-19(4)5/h7-8,11H,6,9-10,12H2,1-5H3,(H,18,22).
What are the key properties of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide?
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).