N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide

C12H18N2O4 — CID 46930718

IUPACN-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
SMILESCOc1ccc(CCN(C)N=O)c(OC)c1OC
InChIInChI=1S/C12H18N2O4/c1-14(13-15)8-7-9-5-6-10(16-2)12(18-4)11(9)17-3/h5-6H,7-8H2,1-4H3
InChIKeyAORGNAYPNGWHJR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.87
Rot. Bonds7

About N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide

N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide (PubChem CID 46930718) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide.

Molecular Properties

Compound NameN-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
PubChem CID46930718
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide
SMILESCOc1ccc(CCN(C)N=O)c(OC)c1OC
InChIInChI=1S/C12H18N2O4/c1-14(13-15)8-7-9-5-6-10(16-2)12(18-4)11(9)17-3/h5-6H,7-8H2,1-4H3
InChIKeyAORGNAYPNGWHJR-UHFFFAOYSA-N
XLogP1.87
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 30328089
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
1-hept-3-ynyl-2,3,4-trimethoxybenzene
CID 83934109
1-hex-3-ynyl-2,3,4-trimethoxybenzene
CID 83934105
N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 662771
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide?
The IUPAC name of N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide (CID 46930718) is N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide.
What is the SMILES notation for N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide?
The canonical SMILES for N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide is COc1ccc(CCN(C)N=O)c(OC)c1OC.
What is the InChIKey of N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide?
The InChIKey is AORGNAYPNGWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14(13-15)8-7-9-5-6-10(16-2)12(18-4)11(9)17-3/h5-6H,7-8H2,1-4H3.
What are the key properties of N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide?
N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide has a molecular weight of 254.29 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]nitrous amide is sourced from PubChem (CID 46930718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).