N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide

C14H14N2O2 — CID 20815017

IUPACN-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide
SMILESCOc1cccc(N(N=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H14N2O2/c1-11-6-8-12(9-7-11)16(15-17)13-4-3-5-14(10-13)18-2/h3-10H,1-2H3
InChIKeyLLQXXNBFNUAETE-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.82
Rot. Bonds4

About N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide

N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide (PubChem CID 20815017) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide
PubChem CID20815017
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide
SMILESCOc1cccc(N(N=O)c2ccc(C)cc2)c1
InChIInChI=1S/C14H14N2O2/c1-11-6-8-12(9-7-11)16(15-17)13-4-3-5-14(10-13)18-2/h3-10H,1-2H3
InChIKeyLLQXXNBFNUAETE-UHFFFAOYSA-N
XLogP3.82
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.82
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

3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
3-methoxy-N,N-disilylaniline
CID 149149494
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
CID 160641057
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
3-[3-methoxy-N-[(4-methylphenyl)methyl]anilino]propanoic acid
CID 82317360

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide?
The IUPAC name of N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide (CID 20815017) is N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide?
The canonical SMILES for N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide is COc1cccc(N(N=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide?
The InChIKey is LLQXXNBFNUAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-6-8-12(9-7-11)16(15-17)13-4-3-5-14(10-13)18-2/h3-10H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide?
N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide has a molecular weight of 242.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-(4-methylphenyl)nitrous amide is sourced from PubChem (CID 20815017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).