3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide

C21H21N3O3 — CID 15539622

IUPAC3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
SMILESCC(CO)(CO)C(=O)Nc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C21H21N3O3/c1-21(13-25,14-26)20(27)22-16-8-5-9-17(12-16)23-24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12,25-26H,13-14H2,1H3,(H,22,27)/b24-23+
InChIKeyJPGUIRCXMYCQRR-WCWDXBQESA-N
MW363.42 g/mol
LogP4.18
Rot. Bonds6

About 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide

3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide (PubChem CID 15539622) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
PubChem CID15539622
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
SMILESCC(CO)(CO)C(=O)Nc1cccc(/N=N/c2cccc3ccccc23)c1
InChIInChI=1S/C21H21N3O3/c1-21(13-25,14-26)20(27)22-16-8-5-9-17(12-16)23-24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12,25-26H,13-14H2,1H3,(H,22,27)/b24-23+
InChIKeyJPGUIRCXMYCQRR-WCWDXBQESA-N
XLogP4.18
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
CID 15539623
(3-iodophenyl)-naphthalen-1-yldiazene
CID 132533459
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
2,2,2-trifluoro-N-[4-phenyldiazenyl-3-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 3636815
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
CID 4526974
3-[6-[5-carboxy-2-(naphthalen-1-yldiazenyl)phenyl]hexa-2,4-diynyl]-4-(naphthalen-1-yldiazenyl)benzoic acid
CID 57084102
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide (CID 15539622) is 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide is CC(CO)(CO)C(=O)Nc1cccc(/N=N/c2cccc3ccccc23)c1.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide?
The InChIKey is JPGUIRCXMYCQRR-WCWDXBQESA-N. The full InChI is InChI=1S/C21H21N3O3/c1-21(13-25,14-26)20(27)22-16-8-5-9-17(12-16)23-24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12,25-26H,13-14H2,1H3,(H,22,27)/b24-23+.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide?
3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide is sourced from PubChem (CID 15539622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).