N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide

C26H31N3O2 — CID 44536296

IUPACN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide
SMILESCCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C26H31N3O2/c1-3-15-27-18-22-11-14-25(28-19-22)23-12-9-21(10-13-23)20-29(16-17-31-2)26(30)24-7-5-4-6-8-24/h4-14,19,27H,3,15-18,20H2,1-2H3
InChIKeyYIKSANUKZIVQDP-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.54
Rot. Bonds11

About N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide

N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide (PubChem CID 44536296) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide
PubChem CID44536296
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide
SMILESCCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C26H31N3O2/c1-3-15-27-18-22-11-14-25(28-19-22)23-12-9-21(10-13-23)20-29(16-17-31-2)26(30)24-7-5-4-6-8-24/h4-14,19,27H,3,15-18,20H2,1-2H3
InChIKeyYIKSANUKZIVQDP-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide (CID 44536296) is N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide is CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide?
The InChIKey is YIKSANUKZIVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-3-15-27-18-22-11-14-25(28-19-22)23-12-9-21(10-13-23)20-29(16-17-31-2)26(30)24-7-5-4-6-8-24/h4-14,19,27H,3,15-18,20H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide?
N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]benzamide is sourced from PubChem (CID 44536296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).