N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide

C10H14N2O2 — CID 46929630

IUPACN-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide
SMILESCc1cccc(C(O)CN(C)N=O)c1
InChIInChI=1S/C10H14N2O2/c1-8-4-3-5-9(6-8)10(13)7-12(2)11-14/h3-6,10,13H,7H2,1-2H3
InChIKeyOGRRIIHSFIBBIY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.64
Rot. Bonds4

About N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide

N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide (PubChem CID 46929630) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide
PubChem CID46929630
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide
SMILESCc1cccc(C(O)CN(C)N=O)c1
InChIInChI=1S/C10H14N2O2/c1-8-4-3-5-9(6-8)10(13)7-12(2)11-14/h3-6,10,13H,7H2,1-2H3
InChIKeyOGRRIIHSFIBBIY-UHFFFAOYSA-N
XLogP1.64
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
2-[[4-(hydroxymethyl)oxan-4-yl]-methylamino]-1-(3-methylphenyl)ethanol
CID 146138679
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
CID 126487884
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide?
The IUPAC name of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide (CID 46929630) is N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide is Cc1cccc(C(O)CN(C)N=O)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide?
The InChIKey is OGRRIIHSFIBBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-4-3-5-9(6-8)10(13)7-12(2)11-14/h3-6,10,13H,7H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide?
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide has a molecular weight of 194.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide is sourced from PubChem (CID 46929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).