2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide

C17H20N2O2 — CID 43738358

IUPAC2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
SMILESCC(Nc1ccccc1C(=O)N(C)C)c1cccc(O)c1
InChIInChI=1S/C17H20N2O2/c1-12(13-7-6-8-14(20)11-13)18-16-10-5-4-9-15(16)17(21)19(2)3/h4-12,18,20H,1-3H3
InChIKeySJITYNIJOQDNIN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide

2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 43738358) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
PubChem CID43738358
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
SMILESCC(Nc1ccccc1C(=O)N(C)C)c1cccc(O)c1
InChIInChI=1S/C17H20N2O2/c1-12(13-7-6-8-14(20)11-13)18-16-10-5-4-9-15(16)17(21)19(2)3/h4-12,18,20H,1-3H3
InChIKeySJITYNIJOQDNIN-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
3-[1-(2-propylanilino)ethyl]phenol
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2,4-difluoro-5-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43673811
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43738248
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
CID 43824689
2-(3-hydroxyphenyl)-N,N-dimethylbenzamide
CID 39746103
N-[2-(dimethylcarbamoyl)phenyl]-N'-[1-(4-methylphenyl)ethyl]oxamide
CID 87043960
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide (CID 43738358) is 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide is CC(Nc1ccccc1C(=O)N(C)C)c1cccc(O)c1.
What is the InChIKey of 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is SJITYNIJOQDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(13-7-6-8-14(20)11-13)18-16-10-5-4-9-15(16)17(21)19(2)3/h4-12,18,20H,1-3H3.
What are the key properties of 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide?
2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43738358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).