N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide

C16H17NO2 — CID 146311230

IUPACN-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide
SMILESCOc1ccc(-c2ccc(C)cc2)cc1N(C)C=O
InChIInChI=1S/C16H17NO2/c1-12-4-6-13(7-5-12)14-8-9-16(19-3)15(10-14)17(2)11-18/h4-11H,1-3H3
InChIKeyZQBKMPDVJROTLX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds4

About N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide

N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide (PubChem CID 146311230) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide
PubChem CID146311230
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide
SMILESCOc1ccc(-c2ccc(C)cc2)cc1N(C)C=O
InChIInChI=1S/C16H17NO2/c1-12-4-6-13(7-5-12)14-8-9-16(19-3)15(10-14)17(2)11-18/h4-11H,1-3H3
InChIKeyZQBKMPDVJROTLX-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
2-[N-(hydroxymethyl)-2-methoxy-5-methylanilino]acetaldehyde
CID 142942704
2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde
CID 138645682
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379
[2-[formyl(methyl)amino]-6-methoxyphenyl] formate
CID 174808992
2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 23597813
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide?
The IUPAC name of N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide (CID 146311230) is N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide is COc1ccc(-c2ccc(C)cc2)cc1N(C)C=O.
What is the InChIKey of N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide?
The InChIKey is ZQBKMPDVJROTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-4-6-13(7-5-12)14-8-9-16(19-3)15(10-14)17(2)11-18/h4-11H,1-3H3.
What are the key properties of N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide?
N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide has a molecular weight of 255.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide is sourced from PubChem (CID 146311230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).