N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide

C15H22N2O2 — CID 103897392

IUPACN-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1(C)CCCOC1
InChIInChI=1S/C15H22N2O2/c1-12(18)17-14-7-4-3-6-13(14)10-16-15(2)8-5-9-19-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyNOYCLBCIQACRNO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide

N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 103897392) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
PubChem CID103897392
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1(C)CCCOC1
InChIInChI=1S/C15H22N2O2/c1-12(18)17-14-7-4-3-6-13(14)10-16-15(2)8-5-9-19-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyNOYCLBCIQACRNO-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[2-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103834517
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
CID 103897511
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide (CID 103897392) is N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC1(C)CCCOC1.
What is the InChIKey of N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is NOYCLBCIQACRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)17-14-7-4-3-6-13(14)10-16-15(2)8-5-9-19-11-15/h3-4,6-7,16H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide?
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103897392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).