N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide

C15H21NO2 — CID 145338580

IUPACN-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide
SMILESCc1ccc(C)c(CN(C=O)C2CCOCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-3-4-13(2)14(9-12)10-16(11-17)15-5-7-18-8-6-15/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyCDGZOZMNOYZIOU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide

N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide (PubChem CID 145338580) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide
PubChem CID145338580
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide
SMILESCc1ccc(C)c(CN(C=O)C2CCOCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-3-4-13(2)14(9-12)10-16(11-17)15-5-7-18-8-6-15/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyCDGZOZMNOYZIOU-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
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-cyclopropyl-N-[[5-(2-methoxyethyl)-2-methylphenyl]methyl]formamide
CID 143930748
cyclopentane;N-[(2,5-dimethylphenyl)methyl]-N-methylformamide;ethane;methanol
CID 145338686
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002
1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797441
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
N-(2,5-dimethylphenyl)-3-ethenylsulfonyl-N-(oxan-4-yl)propanamide
CID 167905956
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
(3R)-3-[(2,5-dimethylphenyl)methylsulfanyl]oxolan-2-one
CID 95330233
N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
CID 165400243

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide (CID 145338580) is N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide is Cc1ccc(C)c(CN(C=O)C2CCOCC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide?
The InChIKey is CDGZOZMNOYZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-3-4-13(2)14(9-12)10-16(11-17)15-5-7-18-8-6-15/h3-4,9,11,15H,5-8,10H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide?
N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide has a molecular weight of 247.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide is sourced from PubChem (CID 145338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).