N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide

C12H17NO4 — CID 66177096

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

About N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide

N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 66177096) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
PubChem CID66177096
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(O)CO)cc1
InChIInChI=1S/C12H17NO4/c1-17-11-4-2-9(3-5-11)6-12(16)13-7-10(15)8-14/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyOKUQKFSAHODCMW-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-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
N-[(2R)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 100635063
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide (CID 66177096) is N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(O)CO)cc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is OKUQKFSAHODCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-17-11-4-2-9(3-5-11)6-12(16)13-7-10(15)8-14/h2-5,10,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide?
N-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 66177096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).