N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

C26H27N3O3 — CID 53115084

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(Oc2cc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)cc1
InChIInChI=1S/C26H27N3O3/c1-31-22-11-13-23(14-12-22)32-25-17-24(28-18-29-25)20-7-9-21(10-8-20)26(30)27-16-15-19-5-3-2-4-6-19/h5,7-14,17-18H,2-4,6,15-16H2,1H3,(H,27,30)
InChIKeyNCZXKGTZZFDJOT-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.56
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53115084) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53115084
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(Oc2cc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)cc1
InChIInChI=1S/C26H27N3O3/c1-31-22-11-13-23(14-12-22)32-25-17-24(28-18-29-25)20-7-9-21(10-8-20)26(30)27-16-15-19-5-3-2-4-6-19/h5,7-14,17-18H,2-4,6,15-16H2,1H3,(H,27,30)
InChIKeyNCZXKGTZZFDJOT-UHFFFAOYSA-N
XLogP5.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115089
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238154
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109342549
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53115084) is N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is COc1ccc(Oc2cc(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)ncn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is NCZXKGTZZFDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-22-11-13-23(14-12-22)32-25-17-24(28-18-29-25)20-7-9-21(10-8-20)26(30)27-16-15-19-5-3-2-4-6-19/h5,7-14,17-18H,2-4,6,15-16H2,1H3,(H,27,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53115084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).