N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide

C12H12N2O2 — CID 102585032

IUPACN-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide
SMILESCOc1cc2ccccc2cc1N(C)N=O
InChIInChI=1S/C12H12N2O2/c1-14(13-15)11-7-9-5-3-4-6-10(9)8-12(11)16-2/h3-8H,1-2H3
InChIKeyCGKMANRTBOWCKE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.97
Rot. Bonds3

About N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide

N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide (PubChem CID 102585032) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide
PubChem CID102585032
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide
SMILESCOc1cc2ccccc2cc1N(C)N=O
InChIInChI=1S/C12H12N2O2/c1-14(13-15)11-7-9-5-3-4-6-10(9)8-12(11)16-2/h3-8H,1-2H3
InChIKeyCGKMANRTBOWCKE-UHFFFAOYSA-N
XLogP2.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
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

N-(4-chloro-2-methoxyphenyl)-N-methylnitrous amide
CID 102585028
1-(3-methoxynaphthalen-2-yl)-1-(4-methylphenyl)urea
CID 70896646
CID 90433687
CID 90433687
CID 101146176
CID 101146176
2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide
CID 11825445
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
3-methoxy-N'-methyl-N'-phenylnaphthalene-2-carbohydrazide
CID 9479564
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
3-(3-amino-4-methoxy-N-methylanilino)chromen-2-one
CID 175862606

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide?
The IUPAC name of N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide (CID 102585032) is N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide.
What is the SMILES notation for N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide?
The canonical SMILES for N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide is COc1cc2ccccc2cc1N(C)N=O.
What is the InChIKey of N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide?
The InChIKey is CGKMANRTBOWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(13-15)11-7-9-5-3-4-6-10(9)8-12(11)16-2/h3-8H,1-2H3.
What are the key properties of N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide?
N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide has a molecular weight of 216.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxynaphthalen-2-yl)-N-methylnitrous amide is sourced from PubChem (CID 102585032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).