N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide

C14H19NO4 — CID 110626895

IUPACN-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NC(C)CO)c1
InChIInChI=1S/C14H19NO4/c1-10(9-16)15-14(18)7-6-13(17)11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyPYUYZMLDSPMXKP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.16
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide

N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110626895) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110626895
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NC(C)CO)c1
InChIInChI=1S/C14H19NO4/c1-10(9-16)15-14(18)7-6-13(17)11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyPYUYZMLDSPMXKP-UHFFFAOYSA-N
XLogP1.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
CID 78856614
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110626895) is N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)NC(C)CO)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is PYUYZMLDSPMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(9-16)15-14(18)7-6-13(17)11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 265.31 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).