N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C38H47N3O6 — CID 175373507

IUPACN-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCc1c(COc2ccc(CNCCOCCOCCOCCOCCC(=O)NCc3ccccc3)cn2)cccc1-c1ccccc1
InChIInChI=1S/C38H47N3O6/c1-31-35(13-8-14-36(31)34-11-6-3-7-12-34)30-47-38-16-15-33(29-41-38)27-39-18-20-44-22-24-46-26-25-45-23-21-43-19-17-37(42)40-28-32-9-4-2-5-10-32/h2-16,29,39H,17-28,30H2,1H3,(H,40,42)
InChIKeyONPYRCFULAGIHL-UHFFFAOYSA-N
MW641.81 g/mol
LogP5.50
Rot. Bonds23

About N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 175373507) has the molecular formula C38H47N3O6 and a molecular weight of 641.81 g/mol. Its IUPAC name is N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID175373507
Molecular FormulaC38H47N3O6
Molecular Weight641.81 g/mol
Exact Mass641.35
IUPAC NameN-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCc1c(COc2ccc(CNCCOCCOCCOCCOCCC(=O)NCc3ccccc3)cn2)cccc1-c1ccccc1
InChIInChI=1S/C38H47N3O6/c1-31-35(13-8-14-36(31)34-11-6-3-7-12-34)30-47-38-16-15-33(29-41-38)27-39-18-20-44-22-24-46-26-25-45-23-21-43-19-17-37(42)40-28-32-9-4-2-5-10-32/h2-16,29,39H,17-28,30H2,1H3,(H,40,42)
InChIKeyONPYRCFULAGIHL-UHFFFAOYSA-N
XLogP5.50
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.81
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide 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-(1-adamantyl)-3-[2-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 175373501
3-[2-[2-[2-[2-[2-[[2,2-dicyclohexyl-1-[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 175834659
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-[[[4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]methyl]cyclopentan-1-one
CID 158773052
methyl 4-[2-[(2-acetamidoethylamino)methyl]-5-[(2-methyl-3-phenylphenyl)methoxy]phenoxy]butanoate
CID 118434905
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
5-[[4-chloro-2-[(2-hydroxyethylamino)methyl]-5-[[3-[3-[[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile
CID 134240494
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55744510
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 87026592
N'-[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]acetohydrazide
CID 166544455
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 175373507) is N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is Cc1c(COc2ccc(CNCCOCCOCCOCCOCCC(=O)NCc3ccccc3)cn2)cccc1-c1ccccc1.
What is the InChIKey of N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is ONPYRCFULAGIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O6/c1-31-35(13-8-14-36(31)34-11-6-3-7-12-34)30-47-38-16-15-33(29-41-38)27-39-18-20-44-22-24-46-26-25-45-23-21-43-19-17-37(42)40-28-32-9-4-2-5-10-32/h2-16,29,39H,17-28,30H2,1H3,(H,40,42).
What are the key properties of N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 641.81 g/mol, XLogP of 5.50, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[2-[2-[2-[[6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 175373507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).