N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C26H35N3O4 — CID 155875271

IUPACN-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CN(Cc2cccc(OCCO)c2)CC12CCOCC2
InChIInChI=1S/C26H35N3O4/c1-2-29(18-21-6-10-27-11-7-21)25(31)24-19-28(20-26(24)8-13-32-14-9-26)17-22-4-3-5-23(16-22)33-15-12-30/h3-7,10-11,16,24,30H,2,8-9,12-15,17-20H2,1H3
InChIKeyGHAPEPSCYYVGPK-UHFFFAOYSA-N
MW453.58 g/mol
LogP2.73
Rot. Bonds9

About N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155875271) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155875271
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CN(Cc2cccc(OCCO)c2)CC12CCOCC2
InChIInChI=1S/C26H35N3O4/c1-2-29(18-21-6-10-27-11-7-21)25(31)24-19-28(20-26(24)8-13-32-14-9-26)17-22-4-3-5-23(16-22)33-15-12-30/h3-7,10-11,16,24,30H,2,8-9,12-15,17-20H2,1H3
InChIKeyGHAPEPSCYYVGPK-UHFFFAOYSA-N
XLogP2.73
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide 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

(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692
2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924948
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
CID 74233599
(3aR,9bR)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72855391
(3R,4R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 86283734
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924949
(3aR,7aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340328
N-(3-chloro-4-methoxyphenyl)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155875271) is N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCN(Cc1ccncc1)C(=O)C1CN(Cc2cccc(OCCO)c2)CC12CCOCC2.
What is the InChIKey of N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GHAPEPSCYYVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-2-29(18-21-6-10-27-11-7-21)25(31)24-19-28(20-26(24)8-13-32-14-9-26)17-22-4-3-5-23(16-22)33-15-12-30/h3-7,10-11,16,24,30H,2,8-9,12-15,17-20H2,1H3.
What are the key properties of N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155875271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).