N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide

C16H24N2O3 — CID 71917564

IUPACN-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2(CCO)CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(20)18-15-4-2-14(3-5-15)12-17-16(6-9-19)7-10-21-11-8-16/h2-5,17,19H,6-12H2,1H3,(H,18,20)
InChIKeyOIXHACNZCWQMFW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.67
Rot. Bonds6

About N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide

N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 71917564) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide
PubChem CID71917564
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2(CCO)CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(20)18-15-4-2-14(3-5-15)12-17-16(6-9-19)7-10-21-11-8-16/h2-5,17,19H,6-12H2,1H3,(H,18,20)
InChIKeyOIXHACNZCWQMFW-UHFFFAOYSA-N
XLogP1.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-pyrazol-1-ylphenyl)methylamino]oxan-4-yl]ethanol
CID 71849564
4-[[(4-ethyloxan-4-yl)amino]methyl]benzoic acid
CID 167827793
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide
CID 106297078
5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 114170427
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide (CID 71917564) is N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2(CCO)CCOCC2)cc1.
What is the InChIKey of N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is OIXHACNZCWQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(20)18-15-4-2-14(3-5-15)12-17-16(6-9-19)7-10-21-11-8-16/h2-5,17,19H,6-12H2,1H3,(H,18,20).
What are the key properties of N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 71917564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).