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

C16H24N2O2 — CID 63741623

IUPACN-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-17-16(19)10-13-5-7-15(8-6-13)18-11-14-4-3-9-20-12-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyQCDVJRDDHXDQBH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds6

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

N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide (PubChem CID 63741623) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
PubChem CID63741623
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-17-16(19)10-13-5-7-15(8-6-13)18-11-14-4-3-9-20-12-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyQCDVJRDDHXDQBH-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide
CID 61019704
2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide
CID 115917694
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide (CID 63741623) is N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide is CCNC(=O)Cc1ccc(NCC2CCCOC2)cc1.
What is the InChIKey of N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
The InChIKey is QCDVJRDDHXDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17-16(19)10-13-5-7-15(8-6-13)18-11-14-4-3-9-20-12-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide?
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 63741623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).