N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

C23H26N4O2 — CID 50826582

IUPACN-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(Nc2ncc(-c3ccc(C)cc3)cn2)c1
InChIInChI=1S/C23H26N4O2/c1-3-29-13-5-12-24-22(28)19-6-4-7-21(14-19)27-23-25-15-20(16-26-23)18-10-8-17(2)9-11-18/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyAWWHUXLGVSTEIC-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.35
Rot. Bonds9

About N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 50826582) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID50826582
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(Nc2ncc(-c3ccc(C)cc3)cn2)c1
InChIInChI=1S/C23H26N4O2/c1-3-29-13-5-12-24-22(28)19-6-4-7-21(14-19)27-23-25-15-20(16-26-23)18-10-8-17(2)9-11-18/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyAWWHUXLGVSTEIC-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55801610
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (CID 50826582) is N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is CCOCCCNC(=O)c1cccc(Nc2ncc(-c3ccc(C)cc3)cn2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is AWWHUXLGVSTEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-29-13-5-12-24-22(28)19-6-4-7-21(14-19)27-23-25-15-20(16-26-23)18-10-8-17(2)9-11-18/h4,6-11,14-16H,3,5,12-13H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 50826582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).