N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

C16H25N3O2 — CID 43073171

IUPACN-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)(C)C1CCCCC1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C16H25N3O2/c1-16(2,3)12-7-4-5-8-13(12)18-14(20)11-19-10-6-9-17-15(19)21/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyJKWZMRHDQMSBOQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.96
Rot. Bonds3

About N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43073171) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43073171
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC(C)(C)C1CCCCC1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C16H25N3O2/c1-16(2,3)12-7-4-5-8-13(12)18-14(20)11-19-10-6-9-17-15(19)21/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,18,20)
InChIKeyJKWZMRHDQMSBOQ-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39005501
N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39892134
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51097113
1-[2-[(2-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62562404
N-[(3R,4S)-1-cyclohexyl-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 72908953
1-[2-Cyclohexyl-2-(propylamino)ethyl]pyrimidin-2-one
CID 104747044
1-[2-Cyclohexyl-2-(ethylamino)ethyl]pyrimidin-2-one
CID 113448373
N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115882469
N-[(3R*,4S*)-1-cyclohexyl-4-isopropyl-3-pyrrolidinyl]-2-(2-oxo-1(2H)-pyrimidinyl)acetamide
CID 133125255
N-(dicyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 138045003

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43073171) is N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC(C)(C)C1CCCCC1NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is JKWZMRHDQMSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)12-7-4-5-8-13(12)18-14(20)11-19-10-6-9-17-15(19)21/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43073171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).