N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide

C16H25N3O3 — CID 113053530

IUPACN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(CCN(C)C)C(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)19(12-11-18(2)3)10-9-17-16(21)14-7-5-6-8-15(14)22-4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyAOEBNEYPWXPITD-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.84
Rot. Bonds8

About N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 113053530) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
PubChem CID113053530
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(CCN(C)C)C(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)19(12-11-18(2)3)10-9-17-16(21)14-7-5-6-8-15(14)22-4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyAOEBNEYPWXPITD-UHFFFAOYSA-N
XLogP0.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113053535
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
CID 113053783
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055103
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide (CID 113053530) is N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(CCN(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide?
The InChIKey is AOEBNEYPWXPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(20)19(12-11-18(2)3)10-9-17-16(21)14-7-5-6-8-15(14)22-4/h5-8H,9-12H2,1-4H3,(H,17,21).
What are the key properties of N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide?
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113053530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).