N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide

C18H22N2O2 — CID 99843072

IUPACN,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-20(4-2)18(22)15-8-10-16(11-9-15)19-13-14-6-5-7-17(21)12-14/h5-12,19,21H,3-4,13H2,1-2H3
InChIKeyMIUAOYJKDWEULN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.49
Rot. Bonds6

About N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide

N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide (PubChem CID 99843072) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
PubChem CID99843072
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-20(4-2)18(22)15-8-10-16(11-9-15)19-13-14-6-5-7-17(21)12-14/h5-12,19,21H,3-4,13H2,1-2H3
InChIKeyMIUAOYJKDWEULN-UHFFFAOYSA-N
XLogP3.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide (CID 99843072) is N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide is CCN(CC)C(=O)c1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide?
The InChIKey is MIUAOYJKDWEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-20(4-2)18(22)15-8-10-16(11-9-15)19-13-14-6-5-7-17(21)12-14/h5-12,19,21H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide?
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 99843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).