N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide

C16H21NO4 — CID 48845435

IUPACN-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)OCC2CCCO2)cc1
InChIInChI=1S/C16H21NO4/c1-11(18)13-5-7-14(8-6-13)17-16(19)12(2)21-10-15-4-3-9-20-15/h5-8,12,15H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyNDKFEJAUMXNIEJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.41
Rot. Bonds6

About N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide

N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 48845435) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID48845435
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)OCC2CCCO2)cc1
InChIInChI=1S/C16H21NO4/c1-11(18)13-5-7-14(8-6-13)17-16(19)12(2)21-10-15-4-3-9-20-15/h5-8,12,15H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyNDKFEJAUMXNIEJ-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 94824353
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide (CID 48845435) is N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide is CC(=O)c1ccc(NC(=O)C(C)OCC2CCCO2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is NDKFEJAUMXNIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(18)13-5-7-14(8-6-13)17-16(19)12(2)21-10-15-4-3-9-20-15/h5-8,12,15H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide?
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 291.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 48845435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).