N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

C17H26N2O3 — CID 54815323

IUPACN-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C17H26N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyFHHIWOBXABHSHC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.43
Rot. Bonds8

About N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 54815323) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID54815323
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C17H26N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyFHHIWOBXABHSHC-UHFFFAOYSA-N
XLogP2.43
TPSA59.59 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836756
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119680052
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689704
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 54815323) is N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is CC(C)COc1cccc(NC(=O)CNCC2CCCO2)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is FHHIWOBXABHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 54815323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).