N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide

C21H26N2O5 — CID 113055017

IUPACN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(CN(CCNC(=O)c2cc(OC)cc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(14-16-5-7-18(26-2)8-6-16)10-9-22-21(25)17-11-19(27-3)13-20(12-17)28-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25)
InChIKeyZQZXJBRQZAQHTK-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.49
Rot. Bonds9

About N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide

N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 113055017) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID113055017
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(CN(CCNC(=O)c2cc(OC)cc(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O5/c1-15(24)23(14-16-5-7-18(26-2)8-6-16)10-9-22-21(25)17-11-19(27-3)13-20(12-17)28-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25)
InChIKeyZQZXJBRQZAQHTK-UHFFFAOYSA-N
XLogP2.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054840
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide (CID 113055017) is N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide is COc1ccc(CN(CCNC(=O)c2cc(OC)cc(OC)c2)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ZQZXJBRQZAQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15(24)23(14-16-5-7-18(26-2)8-6-16)10-9-22-21(25)17-11-19(27-3)13-20(12-17)28-4/h5-8,11-13H,9-10,14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113055017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).