N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide

C18H21NO3 — CID 170831226

IUPACN-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(20)19-12-17(21)18(22)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,17-18,21-22H,11-12H2,1H3,(H,19,20)
InChIKeyPJHRUUDWJOTACQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831226) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831226
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(20)19-12-17(21)18(22)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,17-18,21-22H,11-12H2,1H3,(H,19,20)
InChIKeyPJHRUUDWJOTACQ-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
CID 170830862
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
CID 170829679
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetate
CID 170830919
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide (CID 170831226) is N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is PJHRUUDWJOTACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(20)19-12-17(21)18(22)16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,17-18,21-22H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).