N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide

C16H24N2O2 — CID 115563696

IUPACN-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CCOC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-12(19)18-15-7-5-4-6-13(15)11-17-14-8-9-20-16(2,3)10-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyWFMZKCZLMVOQQR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds4

About N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide

N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide (PubChem CID 115563696) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
PubChem CID115563696
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CCOC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-12(19)18-15-7-5-4-6-13(15)11-17-14-8-9-20-16(2,3)10-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyWFMZKCZLMVOQQR-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
2-[(2,2-dimethyloxan-4-yl)amino]-N-phenylacetamide
CID 83033070
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
3-[[(2,2-dimethyloxan-4-yl)amino]methyl]benzoic acid
CID 103261138
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide (CID 115563696) is N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC1CCOC(C)(C)C1.
What is the InChIKey of N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide?
The InChIKey is WFMZKCZLMVOQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(19)18-15-7-5-4-6-13(15)11-17-14-8-9-20-16(2,3)10-14/h4-7,14,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide?
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 115563696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).