N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide

C21H27N3O2 — CID 90634754

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-15-14-16(2)23-21(22-15)26-19-11-9-18(10-12-19)24-20(25)13-8-17-6-4-3-5-7-17/h3-7,14,18-19H,8-13H2,1-2H3,(H,24,25)
InChIKeyYZZWMPDZYWFLHN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide (PubChem CID 90634754) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
PubChem CID90634754
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2/c1-15-14-16(2)23-21(22-15)26-19-11-9-18(10-12-19)24-20(25)13-8-17-6-4-3-5-7-17/h3-7,14,18-19H,8-13H2,1-2H3,(H,24,25)
InChIKeyYZZWMPDZYWFLHN-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
CID 90634657
N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
CID 112752998
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide (CID 90634754) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide is Cc1cc(C)nc(OC2CCC(NC(=O)CCc3ccccc3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
The InChIKey is YZZWMPDZYWFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-14-16(2)23-21(22-15)26-19-11-9-18(10-12-19)24-20(25)13-8-17-6-4-3-5-7-17/h3-7,14,18-19H,8-13H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 90634754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).