N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide

C17H20N2O2 — CID 43369278

IUPACN-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(OCCN)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-9-13(2)11-14(10-12)17(20)19-15-3-5-16(6-4-15)21-8-7-18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyXUZLUDAJJFAHKK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.89
Rot. Bonds5

About N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide

N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide (PubChem CID 43369278) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
PubChem CID43369278
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(OCCN)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-9-13(2)11-14(10-12)17(20)19-15-3-5-16(6-4-15)21-8-7-18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyXUZLUDAJJFAHKK-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
N-[4-(2-aminoethoxy)phenyl]pyridine-4-carboxamide
CID 43175490
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
CID 143492214
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830929
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide (CID 43369278) is N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(OCCN)cc2)c1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide?
The InChIKey is XUZLUDAJJFAHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-13(2)11-14(10-12)17(20)19-15-3-5-16(6-4-15)21-8-7-18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide?
N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 43369278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).