N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

C29H30N4O3 — CID 53115089

IUPACN-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccc(OC)cc4)ncn3)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-4-33(5-2)24-12-6-21(7-13-24)19-30-29(34)23-10-8-22(9-11-23)27-18-28(32-20-31-27)36-26-16-14-25(35-3)15-17-26/h6-18,20H,4-5,19H2,1-3H3,(H,30,34)
InChIKeyOEYIISXODFKUOA-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.72
Rot. Bonds10

About N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53115089) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53115089
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccc(OC)cc4)ncn3)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-4-33(5-2)24-12-6-21(7-13-24)19-30-29(34)23-10-8-22(9-11-23)27-18-28(32-20-31-27)36-26-16-14-25(35-3)15-17-26/h6-18,20H,4-5,19H2,1-3H3,(H,30,34)
InChIKeyOEYIISXODFKUOA-UHFFFAOYSA-N
XLogP5.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021089
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
N-[2-(cyclohexen-1-yl)ethyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115084
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021136

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53115089) is N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccc(OC)cc4)ncn3)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is OEYIISXODFKUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-4-33(5-2)24-12-6-21(7-13-24)19-30-29(34)23-10-8-22(9-11-23)27-18-28(32-20-31-27)36-26-16-14-25(35-3)15-17-26/h6-18,20H,4-5,19H2,1-3H3,(H,30,34).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53115089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).