N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide

C17H20N2O3 — CID 43822918

IUPACN-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C17H20N2O3/c1-11(18)12-7-9-13(10-8-12)19-17(20)16-14(21-2)5-4-6-15(16)22-3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyYZYBXXWGWFAVBM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide

N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide (PubChem CID 43822918) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
PubChem CID43822918
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C17H20N2O3/c1-11(18)12-7-9-13(10-8-12)19-17(20)16-14(21-2)5-4-6-15(16)22-3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyYZYBXXWGWFAVBM-UHFFFAOYSA-N
XLogP2.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
CID 139887374
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[4-[(1S)-1-aminoethyl]phenyl]-6-(2-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155964139
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
2,6-dimethoxy-N-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907944

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide (CID 43822918) is N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is YZYBXXWGWFAVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(18)12-7-9-13(10-8-12)19-17(20)16-14(21-2)5-4-6-15(16)22-3/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide?
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 43822918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).