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

C16H24N2O4 — CID 113051989

IUPACN-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)C(C)C
InChIInChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)10-9-17-16(20)15-13(21-4)7-6-8-14(15)22-5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyAGYHUBKLLOADQA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.69
Rot. Bonds7

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

N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 113051989) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID113051989
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)C(C)C
InChIInChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)10-9-17-16(20)15-13(21-4)7-6-8-14(15)22-5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyAGYHUBKLLOADQA-UHFFFAOYSA-N
XLogP1.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.69
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(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide (CID 113051989) is N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(C(C)=O)C(C)C.
What is the InChIKey of N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is AGYHUBKLLOADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)10-9-17-16(20)15-13(21-4)7-6-8-14(15)22-5/h6-8,11H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113051989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).