N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide

C12H17NO4 — CID 66177316

IUPACN-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)CO
InChIInChI=1S/C12H17NO4/c14-7-11(15)6-13-12(16)9-17-8-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16)
InChIKeyHDPDBBKWVNOVEZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.33
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide

N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide (PubChem CID 66177316) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
PubChem CID66177316
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)CO
InChIInChI=1S/C12H17NO4/c14-7-11(15)6-13-12(16)9-17-8-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16)
InChIKeyHDPDBBKWVNOVEZ-UHFFFAOYSA-N
XLogP-0.33
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102696
2-[bis[2-[[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-ethylamino]-3-phenylmethoxypropyl]amino]acetic acid
CID 57099867
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
N-butyl-2-phenylmethoxyacetamide
CID 126717674

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide (CID 66177316) is N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide?
The InChIKey is HDPDBBKWVNOVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-7-11(15)6-13-12(16)9-17-8-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide?
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.33, 7 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-phenylmethoxyacetamide is sourced from PubChem (CID 66177316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).