2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide

C16H25N3O4 — CID 113160520

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(CCN(C)C)C(C)=O)c1
InChIInChI=1S/C16H25N3O4/c1-12(20)19(9-8-18(2)3)11-16(21)17-14-10-13(22-4)6-7-15(14)23-5/h6-7,10H,8-9,11H2,1-5H3,(H,17,21)
InChIKeyMSBIUJOVSHRUNO-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.05
Rot. Bonds8

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 113160520) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID113160520
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(CCN(C)C)C(C)=O)c1
InChIInChI=1S/C16H25N3O4/c1-12(20)19(9-8-18(2)3)11-16(21)17-14-10-13(22-4)6-7-15(14)23-5/h6-7,10H,8-9,11H2,1-5H3,(H,17,21)
InChIKeyMSBIUJOVSHRUNO-UHFFFAOYSA-N
XLogP1.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8692101
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide (CID 113160520) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(CCN(C)C)C(C)=O)c1.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is MSBIUJOVSHRUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-12(20)19(9-8-18(2)3)11-16(21)17-14-10-13(22-4)6-7-15(14)23-5/h6-7,10H,8-9,11H2,1-5H3,(H,17,21).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113160520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).