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

C26H43N3O5 — CID 142313481

IUPACN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide
SMILESCOC(CN(C)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CNCCO3)c1)OC
InChIInChI=1S/C26H43N3O5/c1-28(20-25(31-2)32-3)24(30)9-17-33-16-8-23-6-4-5-22(19-23)7-13-29-14-10-26(11-15-29)21-27-12-18-34-26/h4-6,19,25,27H,7-18,20-21H2,1-3H3
InChIKeyVQPCLAPOVOLCTA-UHFFFAOYSA-N
MW477.65 g/mol
LogP1.71
Rot. Bonds13

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

N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide (PubChem CID 142313481) has the molecular formula C26H43N3O5 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide
PubChem CID142313481
Molecular FormulaC26H43N3O5
Molecular Weight477.65 g/mol
Exact Mass477.32
IUPAC NameN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide
SMILESCOC(CN(C)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CNCCO3)c1)OC
InChIInChI=1S/C26H43N3O5/c1-28(20-25(31-2)32-3)24(30)9-17-33-16-8-23-6-4-5-22(19-23)7-13-29-14-10-26(11-15-29)21-27-12-18-34-26/h4-6,19,25,27H,7-18,20-21H2,1-3H3
InChIKeyVQPCLAPOVOLCTA-UHFFFAOYSA-N
XLogP1.71
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)butanamide
CID 91123372
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-[4-(2-oxo-1H-pyridin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide
CID 134394547
N-(2,2-dimethoxyethyl)-3-[2-[3-(ethylaminomethyl)phenyl]ethoxy]-N-methylpropanamide
CID 134394771
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide
CID 134394785
N-(2,2-dimethoxyethyl)-3-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethoxy]-N-pentan-3-ylpropanamide;2,3-dimethylbut-1-ene;ethane
CID 142313494
N-butyl-N-(2,2-dimethoxyethyl)-3-[2-[3-[2-(4-prop-2-enehydrazonoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
CID 142313565
3-[2-[3-[2-(1-Oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanoic acid
CID 142313625
Tert-butyl 3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanoate
CID 142313723
1-[2-[3-[2-(1-Oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]pentan-3-one
CID 142313725
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-[4-[(2E,4Z)-5-(methylamino)-1-oxopenta-2,4-dien-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide
CID 142313737
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[[(11E,13Z)-7-oxa-3,10,16-triazaspiro[5.11]heptadeca-11,13,15-trien-3-yl]methyl]phenyl]ethoxy]propanamide
CID 142313739
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
CID 142313752

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide (CID 142313481) is N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide is COC(CN(C)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CNCCO3)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide?
The InChIKey is VQPCLAPOVOLCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O5/c1-28(20-25(31-2)32-3)24(30)9-17-33-16-8-23-6-4-5-22(19-23)7-13-29-14-10-26(11-15-29)21-27-12-18-34-26/h4-6,19,25,27H,7-18,20-21H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide?
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide has a molecular weight of 477.65 g/mol, XLogP of 1.71, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide is sourced from PubChem (CID 142313481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).