2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide

C16H24N2O3 — CID 106125082

IUPAC2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCC2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c17-16(20)11-21-15-7-3-13(4-8-15)10-18-9-12-1-5-14(19)6-2-12/h3-4,7-8,12,14,18-19H,1-2,5-6,9-11H2,(H2,17,20)
InChIKeyQIYUMLNRGISQSD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds7

About 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide

2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide (PubChem CID 106125082) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
PubChem CID106125082
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCC2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c17-16(20)11-21-15-7-3-13(4-8-15)10-18-9-12-1-5-14(19)6-2-12/h3-4,7-8,12,14,18-19H,1-2,5-6,9-11H2,(H2,17,20)
InChIKeyQIYUMLNRGISQSD-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 106833902
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide (CID 106125082) is 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCC2CCC(O)CC2)cc1.
What is the InChIKey of 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is QIYUMLNRGISQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-16(20)11-21-15-7-3-13(4-8-15)10-18-9-12-1-5-14(19)6-2-12/h3-4,7-8,12,14,18-19H,1-2,5-6,9-11H2,(H2,17,20).
What are the key properties of 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide?
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 106125082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).