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

C46H67N3O7 — CID 175834659

IUPAC3-[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
SMILESCc1c(COc2ccc(C(NCCOCCOCCOCCOCCOCCC(N)=O)C(C3CCCCC3)C3CCCCC3)cn2)cccc1-c1ccccc1
InChIInChI=1S/C46H67N3O7/c1-36-41(18-11-19-42(36)37-12-5-2-6-13-37)35-56-44-21-20-40(34-49-44)46(45(38-14-7-3-8-15-38)39-16-9-4-10-17-39)48-23-25-52-27-29-54-31-33-55-32-30-53-28-26-51-24-22-43(47)50/h2,5-6,11-13,18-21,34,38-39,45-46,48H,3-4,7-10,14-17,22-33,35H2,1H3,(H2,47,50)
InChIKeyNUYNVNQHJCBYJO-UHFFFAOYSA-N
MW774.06 g/mol
LogP8.00
Rot. Bonds27

About 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

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 (PubChem CID 175834659) has the molecular formula C46H67N3O7 and a molecular weight of 774.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID175834659
Molecular FormulaC46H67N3O7
Molecular Weight774.06 g/mol
Exact Mass773.50
IUPAC Name3-[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
SMILESCc1c(COc2ccc(C(NCCOCCOCCOCCOCCOCCC(N)=O)C(C3CCCCC3)C3CCCCC3)cn2)cccc1-c1ccccc1
InChIInChI=1S/C46H67N3O7/c1-36-41(18-11-19-42(36)37-12-5-2-6-13-37)35-56-44-21-20-40(34-49-44)46(45(38-14-7-3-8-15-38)39-16-9-4-10-17-39)48-23-25-52-27-29-54-31-33-55-32-30-53-28-26-51-24-22-43(47)50/h2,5-6,11-13,18-21,34,38-39,45-46,48H,3-4,7-10,14-17,22-33,35H2,1H3,(H2,47,50)
InChIKeyNUYNVNQHJCBYJO-UHFFFAOYSA-N
XLogP8.00
TPSA123.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(COc2ccc(C(NCCOCCOCCOCCOCCOCCC(N)=O)C(C3CCCCC3)C3CCCCC3)cn2)cccc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is NUYNVNQHJCBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H67N3O7/c1-36-41(18-11-19-42(36)37-12-5-2-6-13-37)35-56-44-21-20-40(34-49-44)46(45(38-14-7-3-8-15-38)39-16-9-4-10-17-39)48-23-25-52-27-29-54-31-33-55-32-30-53-28-26-51-24-22-43(47)50/h2,5-6,11-13,18-21,34,38-39,45-46,48H,3-4,7-10,14-17,22-33,35H2,1H3,(H2,47,50).
What are the key properties of 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?
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 has a molecular weight of 774.06 g/mol, XLogP of 8.00, 27 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175834659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).