N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide

C17H26N2O3 — CID 46445236

IUPACN-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(C)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(14-4-5-14)19(3)10-16(21)11-22-17-8-6-15(7-9-17)18-13(2)20/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyHVTMWIFFQUDXEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.12
Rot. Bonds8

About N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 46445236) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID46445236
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(C)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(14-4-5-14)19(3)10-16(21)11-22-17-8-6-15(7-9-17)18-13(2)20/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyHVTMWIFFQUDXEJ-UHFFFAOYSA-N
XLogP2.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
CID 111108348
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
CID 7166476
ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
CID 47526880
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 86993421

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide (CID 46445236) is N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN(C)C(C)C2CC2)cc1.
What is the InChIKey of N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is HVTMWIFFQUDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(14-4-5-14)19(3)10-16(21)11-22-17-8-6-15(7-9-17)18-13(2)20/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 46445236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).