4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide

C17H20N2O2 — CID 43601985

IUPAC4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(CNC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)17(20)19-15-6-4-5-13(11-15)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyCIGNSVYXUVNKPK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds6

About 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide

4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601985) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID43601985
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(CNC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)17(20)19-15-6-4-5-13(11-15)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyCIGNSVYXUVNKPK-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
3-[[3-[(4-ethoxybenzoyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241007
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide (CID 43601985) is 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(CNC)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is CIGNSVYXUVNKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)17(20)19-15-6-4-5-13(11-15)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide?
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).