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

C32H48N4O5 — CID 134394744

IUPACN-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C32H48N4O5/c1-5-26-9-14-33-29(22-26)36-17-20-41-32(25-36)12-15-35(16-13-32)23-28-8-6-7-27(21-28)10-18-40-19-11-30(37)34(2)24-31(38-3)39-4/h6-9,14,21-22,31H,5,10-13,15-20,23-25H2,1-4H3
InChIKeyKKYSJTHHMIANMV-UHFFFAOYSA-N
MW568.76 g/mol
LogP3.54
Rot. Bonds14

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

N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide (PubChem CID 134394744) has the molecular formula C32H48N4O5 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide
PubChem CID134394744
Molecular FormulaC32H48N4O5
Molecular Weight568.76 g/mol
Exact Mass568.36
IUPAC NameN-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C32H48N4O5/c1-5-26-9-14-33-29(22-26)36-17-20-41-32(25-36)12-15-35(16-13-32)23-28-8-6-7-27(21-28)10-18-40-19-11-30(37)34(2)24-31(38-3)39-4/h6-9,14,21-22,31H,5,10-13,15-20,23-25H2,1-4H3
InChIKeyKKYSJTHHMIANMV-UHFFFAOYSA-N
XLogP3.54
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.76
LogP ≤ 53.54
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-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]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-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide (CID 134394744) is N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide is CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(C)CC(OC)OC)c4)CC3)C2)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide?
The InChIKey is KKYSJTHHMIANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N4O5/c1-5-26-9-14-33-29(22-26)36-17-20-41-32(25-36)12-15-35(16-13-32)23-28-8-6-7-27(21-28)10-18-40-19-11-30(37)34(2)24-31(38-3)39-4/h6-9,14,21-22,31H,5,10-13,15-20,23-25H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide?
N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide has a molecular weight of 568.76 g/mol, XLogP of 3.54, 14 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-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 134394744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).