2-[4-(oxan-3-ylmethylamino)phenyl]acetamide

C14H20N2O2 — CID 63739848

IUPAC2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)8-11-3-5-13(6-4-11)16-9-12-2-1-7-18-10-12/h3-6,12,16H,1-2,7-10H2,(H2,15,17)
InChIKeyRHXXHKWUZUTSSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds5

About 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide

2-[4-(oxan-3-ylmethylamino)phenyl]acetamide (PubChem CID 63739848) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
PubChem CID63739848
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)8-11-3-5-13(6-4-11)16-9-12-2-1-7-18-10-12/h3-6,12,16H,1-2,7-10H2,(H2,15,17)
InChIKeyRHXXHKWUZUTSSM-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
CID 63741794
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide (CID 63739848) is 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide is NC(=O)Cc1ccc(NCC2CCCOC2)cc1.
What is the InChIKey of 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The InChIKey is RHXXHKWUZUTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)8-11-3-5-13(6-4-11)16-9-12-2-1-7-18-10-12/h3-6,12,16H,1-2,7-10H2,(H2,15,17).
What are the key properties of 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 63739848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).