N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide

C15H22N2O3 — CID 66336225

IUPACN-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(C)(O)CNC2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(18)17-13-5-7-14(8-6-13)20-10-15(2,19)9-16-12-3-4-12/h5-8,12,16,19H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLLIRVDXBVIIVHK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds7

About N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide

N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide (PubChem CID 66336225) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide
PubChem CID66336225
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(C)(O)CNC2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(18)17-13-5-7-14(8-6-13)20-10-15(2,19)9-16-12-3-4-12/h5-8,12,16,19H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLLIRVDXBVIIVHK-UHFFFAOYSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317
1-(3-bromo-5-nitrophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 103588492
2-(cyclopropylamino)-N-(4-ethoxyphenyl)acetamide;hydrochloride
CID 18778020
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide (CID 66336225) is N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(C)(O)CNC2CC2)cc1.
What is the InChIKey of N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
The InChIKey is LLIRVDXBVIIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)17-13-5-7-14(8-6-13)20-10-15(2,19)9-16-12-3-4-12/h5-8,12,16,19H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide?
N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide is sourced from PubChem (CID 66336225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).