2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide

C18H28N2O2S — CID 120794568

IUPAC2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
SMILESNC(C(=O)NCC1(c2cccs2)CCCCC1)C1CCOCC1
InChIInChI=1S/C18H28N2O2S/c19-16(14-6-10-22-11-7-14)17(21)20-13-18(8-2-1-3-9-18)15-5-4-12-23-15/h4-5,12,14,16H,1-3,6-11,13,19H2,(H,20,21)
InChIKeyXJDDRFOHXXYMIU-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide

2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide (PubChem CID 120794568) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
PubChem CID120794568
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
SMILESNC(C(=O)NCC1(c2cccs2)CCCCC1)C1CCOCC1
InChIInChI=1S/C18H28N2O2S/c19-16(14-6-10-22-11-7-14)17(21)20-13-18(8-2-1-3-9-18)15-5-4-12-23-15/h4-5,12,14,16H,1-3,6-11,13,19H2,(H,20,21)
InChIKeyXJDDRFOHXXYMIU-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
2-methyl-1-(oxan-4-ylmethyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 119141464
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 120797019
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791308
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide (CID 120794568) is 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide is NC(C(=O)NCC1(c2cccs2)CCCCC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide?
The InChIKey is XJDDRFOHXXYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c19-16(14-6-10-22-11-7-14)17(21)20-13-18(8-2-1-3-9-18)15-5-4-12-23-15/h4-5,12,14,16H,1-3,6-11,13,19H2,(H,20,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide has a molecular weight of 336.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 120794568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).