2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone

C14H21NO3 — CID 62050940

IUPAC2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCCN(CCO)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeySHSLKZKMFVCCPN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds8

About 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone

2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone (PubChem CID 62050940) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
PubChem CID62050940
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCCN(CCO)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h4-6,10,16H,3,7-9,11H2,1-2H3
InChIKeySHSLKZKMFVCCPN-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanone
CID 62052225
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
3-methoxy-N,N-dipropylbenzamide
CID 669439
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone (CID 62050940) is 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone is CCCN(CCO)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone?
The InChIKey is SHSLKZKMFVCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h4-6,10,16H,3,7-9,11H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone?
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 62050940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).