N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide

C14H22N2O2 — CID 54880370

IUPACN-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
SMILESCCC(O)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(18)9-15-10(2)12-6-5-7-13(8-12)16-11(3)17/h5-8,10,14-15,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyOOLQXALIOUFYGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds6

About N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide

N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide (PubChem CID 54880370) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
PubChem CID54880370
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
SMILESCCC(O)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(18)9-15-10(2)12-6-5-7-13(8-12)16-11(3)17/h5-8,10,14-15,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyOOLQXALIOUFYGO-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
CID 86779553
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide (CID 54880370) is N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide is CCC(O)CNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide?
The InChIKey is OOLQXALIOUFYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(18)9-15-10(2)12-6-5-7-13(8-12)16-11(3)17/h5-8,10,14-15,18H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide?
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 54880370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).