2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide

C17H27N3O2 — CID 113160867

IUPAC2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(CCCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)18-17(22)13-20(14(2)21)12-6-11-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyPDODDTZJQMNVLA-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.99
Rot. Bonds8

About 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide (PubChem CID 113160867) 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-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
PubChem CID113160867
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(CCCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)18-17(22)13-20(14(2)21)12-6-11-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyPDODDTZJQMNVLA-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[acetyl-[3-(dimethylamino)propyl]amino]acetyl]amino]benzoate
CID 113160912
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
2-[butyl(ethyl)amino]-N-(4-ethylphenyl)acetamide
CID 55437047
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide (CID 113160867) is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(CCCN(C)C)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide?
The InChIKey is PDODDTZJQMNVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)18-17(22)13-20(14(2)21)12-6-11-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22).
What are the key properties of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide?
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.99, 8 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 113160867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).