N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide

C26H29N3O3 — CID 42670184

IUPACN-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCOc1cc(C)ccc1Oc1nc(-c2ccccc2)ncc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-18-14-15-22(23(16-18)31-3)32-25-21(26(30)29(2)20-12-8-5-9-13-20)17-27-24(28-25)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,5,8-9,12-13H2,1-3H3
InChIKeyLBUIPVCYANVBTL-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.66
Rot. Bonds6

About N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide

N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 42670184) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID42670184
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCOc1cc(C)ccc1Oc1nc(-c2ccccc2)ncc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-18-14-15-22(23(16-18)31-3)32-25-21(26(30)29(2)20-12-8-5-9-13-20)17-27-24(28-25)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,5,8-9,12-13H2,1-3H3
InChIKeyLBUIPVCYANVBTL-UHFFFAOYSA-N
XLogP5.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(dimethylamino)-N-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 42670372
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670939
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 26404586
N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
CID 42670112
[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
CID 42882396
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
N-cyclohexyl-1-(4-methoxyanilino)-N-methylisoquinoline-4-carboxamide
CID 122174566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide (CID 42670184) is N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide is COc1cc(C)ccc1Oc1nc(-c2ccccc2)ncc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is LBUIPVCYANVBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18-14-15-22(23(16-18)31-3)32-25-21(26(30)29(2)20-12-8-5-9-13-20)17-27-24(28-25)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,5,8-9,12-13H2,1-3H3.
What are the key properties of N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide?
N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).