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

C24H35N3O2 — CID 44536288

IUPACN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(CCOC)Cc1ccc(-c2ccc(CNCCC)cn2)cc1
InChIInChI=1S/C24H35N3O2/c1-4-6-7-24(28)27(15-16-29-3)19-20-8-11-22(12-9-20)23-13-10-21(18-26-23)17-25-14-5-2/h8-13,18,25H,4-7,14-17,19H2,1-3H3
InChIKeyKUDQWIUJOXBXBQ-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.41
Rot. Bonds13

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

N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide (PubChem CID 44536288) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide
PubChem CID44536288
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(CCOC)Cc1ccc(-c2ccc(CNCCC)cn2)cc1
InChIInChI=1S/C24H35N3O2/c1-4-6-7-24(28)27(15-16-29-3)19-20-8-11-22(12-9-20)23-13-10-21(18-26-23)17-25-14-5-2/h8-13,18,25H,4-7,14-17,19H2,1-3H3
InChIKeyKUDQWIUJOXBXBQ-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.41
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]pentanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide (CID 44536288) is N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide is CCCCC(=O)N(CCOC)Cc1ccc(-c2ccc(CNCCC)cn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide?
The InChIKey is KUDQWIUJOXBXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-6-7-24(28)27(15-16-29-3)19-20-8-11-22(12-9-20)23-13-10-21(18-26-23)17-25-14-5-2/h8-13,18,25H,4-7,14-17,19H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide?
N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]pentanamide has a molecular weight of 397.56 g/mol, XLogP of 4.41, 13 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]pentanamide is sourced from PubChem (CID 44536288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).