N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide

C17H19NO4 — CID 155546770

IUPACN,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide
SMILESCN(O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO4/c1-18(21)17(20)11-16(19)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,16,19,21H,11-12H2,1H3
InChIKeyAQDMVXJLQSLNAB-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.54
Rot. Bonds6

About N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide

N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 155546770) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID155546770
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide
SMILESCN(O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H19NO4/c1-18(21)17(20)11-16(19)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,16,19,21H,11-12H2,1H3
InChIKeyAQDMVXJLQSLNAB-UHFFFAOYSA-N
XLogP2.54
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
RG 6866
CID 129232
N-Hydroxy-4-(4-methoxy-phenyl)-N-phenethyl-butyramide
CID 14406214
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-propyl-acetamide
CID 14406216
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-methyl-propionamide
CID 44307472
3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-propionamide
CID 44387191
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide
CID 44227366
5-{[2-(4-Benzyloxy-phenyl)-acetyl]-hydroxy-amino}-pentanoic acid
CID 14545017
N,3-dihydroxy-3-(4-methoxyphenyl)propanamide
CID 72707665
CID 69178637
CID 69178637
Ethyl 3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate
CID 15890182
N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 72707666

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide (CID 155546770) is N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide is CN(O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is AQDMVXJLQSLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-18(21)17(20)11-16(19)14-7-9-15(10-8-14)22-12-13-5-3-2-4-6-13/h2-10,16,19,21H,11-12H2,1H3.
What are the key properties of N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide?
N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 155546770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).