N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide

C33H50N4O5 — CID 134394702

IUPACN-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide
SMILESCCc1ccnc(N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C33H50N4O5/c1-5-27-9-15-34-30(24-27)37-19-22-42-33(26-37)13-17-36(18-14-33)16-10-28-7-6-8-29(23-28)11-20-41-21-12-31(38)35(2)25-32(39-3)40-4/h6-9,15,23-24,32H,5,10-14,16-22,25-26H2,1-4H3
InChIKeyQVSURLSLEJCCGG-UHFFFAOYSA-N
MW582.79 g/mol
LogP3.58
Rot. Bonds15

About N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide

N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide (PubChem CID 134394702) has the molecular formula C33H50N4O5 and a molecular weight of 582.79 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide
PubChem CID134394702
Molecular FormulaC33H50N4O5
Molecular Weight582.79 g/mol
Exact Mass582.38
IUPAC NameN-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide
SMILESCCc1ccnc(N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C33H50N4O5/c1-5-27-9-15-34-30(24-27)37-19-22-42-33(26-37)13-17-36(18-14-33)16-10-28-7-6-8-29(23-28)11-20-41-21-12-31(38)35(2)25-32(39-3)40-4/h6-9,15,23-24,32H,5,10-14,16-22,25-26H2,1-4H3
InChIKeyQVSURLSLEJCCGG-UHFFFAOYSA-N
XLogP3.58
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.79
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide 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 N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide (CID 134394702) is N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide is CCc1ccnc(N2CCOC3(CCN(CCc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide?
The InChIKey is QVSURLSLEJCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N4O5/c1-5-27-9-15-34-30(24-27)37-19-22-42-33(26-37)13-17-36(18-14-33)16-10-28-7-6-8-29(23-28)11-20-41-21-12-31(38)35(2)25-32(39-3)40-4/h6-9,15,23-24,32H,5,10-14,16-22,25-26H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide?
N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide has a molecular weight of 582.79 g/mol, XLogP of 3.58, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-[2-[3-[2-[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 134394702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).