N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide

C17H20N2O2 — CID 43680770

IUPACN-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(C)c2cccc(O)c2)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(21)14-7-4-8-15(10-14)19-12(2)13-6-5-9-16(20)11-13/h4-12,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyLCILAJOPIGXMQN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide

N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide (PubChem CID 43680770) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
PubChem CID43680770
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
SMILESCCNC(=O)c1cccc(NC(C)c2cccc(O)c2)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(21)14-7-4-8-15(10-14)19-12(2)13-6-5-9-16(20)11-13/h4-12,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyLCILAJOPIGXMQN-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381
N-ethyl-3-hydroxybenzamide
CID 13175248
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
3-acetamido-N-ethylbenzamide
CID 17230670
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
1-hydroxy-3-[1-[3-(sulfamoylamino)anilino]ethyl]benzene
CID 43742050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide?
The IUPAC name of N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide (CID 43680770) is N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide.
What is the SMILES notation for N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide?
The canonical SMILES for N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide is CCNC(=O)c1cccc(NC(C)c2cccc(O)c2)c1.
What is the InChIKey of N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide?
The InChIKey is LCILAJOPIGXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-18-17(21)14-7-4-8-15(10-14)19-12(2)13-6-5-9-16(20)11-13/h4-12,19-20H,3H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide?
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 43680770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).