N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide

C17H27N3O4 — CID 113053535

IUPACN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(CCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O4/c1-13(21)20(12-11-19(2)3)10-9-18-17(22)16-14(23-4)7-6-8-15(16)24-5/h6-8H,9-12H2,1-5H3,(H,18,22)
InChIKeyVSMIFFOEHPGODR-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.84
Rot. Bonds9

About N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 113053535) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID113053535
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(CCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O4/c1-13(21)20(12-11-19(2)3)10-9-18-17(22)16-14(23-4)7-6-8-15(16)24-5/h6-8H,9-12H2,1-5H3,(H,18,22)
InChIKeyVSMIFFOEHPGODR-UHFFFAOYSA-N
XLogP0.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113053665
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide (CID 113053535) is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(CCN(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is VSMIFFOEHPGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-13(21)20(12-11-19(2)3)10-9-18-17(22)16-14(23-4)7-6-8-15(16)24-5/h6-8H,9-12H2,1-5H3,(H,18,22).
What are the key properties of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113053535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).