N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide

C12H17NO4 — CID 65315308

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO4/c1-17-11-4-2-9(3-5-11)6-12(16)13-10(7-14)8-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyUPIPYJDVOFKTCD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.29
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 65315308) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID65315308
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO4/c1-17-11-4-2-9(3-5-11)6-12(16)13-10(7-14)8-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyUPIPYJDVOFKTCD-UHFFFAOYSA-N
XLogP-0.29
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
CID 66177096
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide (CID 65315308) is N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CO)CO)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is UPIPYJDVOFKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-17-11-4-2-9(3-5-11)6-12(16)13-10(7-14)8-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 65315308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).