N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide

C15H24N2O2 — CID 54934592

IUPACN,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2)15(19)9-10-16-12(3)13-7-6-8-14(18)11-13/h6-8,11-12,16,18H,4-5,9-10H2,1-3H3
InChIKeyXFVALQPBFZUGQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide

N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide (PubChem CID 54934592) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
PubChem CID54934592
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2)15(19)9-10-16-12(3)13-7-6-8-14(18)11-13/h6-8,11-12,16,18H,4-5,9-10H2,1-3H3
InChIKeyXFVALQPBFZUGQG-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide (CID 54934592) is N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide is CCN(CC)C(=O)CCNC(C)c1cccc(O)c1.
What is the InChIKey of N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide?
The InChIKey is XFVALQPBFZUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(5-2)15(19)9-10-16-12(3)13-7-6-8-14(18)11-13/h6-8,11-12,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide?
N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 54934592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).