2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide

C17H26N2O2 — CID 60958128

IUPAC2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
SMILESCCC1CCC(NCc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-13-3-7-15(8-4-13)19-11-14-5-9-16(10-6-14)21-12-17(18)20/h5-6,9-10,13,15,19H,2-4,7-8,11-12H2,1H3,(H2,18,20)
InChIKeyPAUBYLQSMIUMIT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide

2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide (PubChem CID 60958128) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
PubChem CID60958128
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
SMILESCCC1CCC(NCc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-13-3-7-15(8-4-13)19-11-14-5-9-16(10-6-14)21-12-17(18)20/h5-6,9-10,13,15,19H,2-4,7-8,11-12H2,1H3,(H2,18,20)
InChIKeyPAUBYLQSMIUMIT-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
CID 54849864
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide (CID 60958128) is 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide is CCC1CCC(NCc2ccc(OCC(N)=O)cc2)CC1.
What is the InChIKey of 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide?
The InChIKey is PAUBYLQSMIUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-13-3-7-15(8-4-13)19-11-14-5-9-16(10-6-14)21-12-17(18)20/h5-6,9-10,13,15,19H,2-4,7-8,11-12H2,1H3,(H2,18,20).
What are the key properties of 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide?
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 60958128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).