1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide

C16H26N2O5 — CID 108972894

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26N2O5/c1-21-10-2-7-17-13(19)15(3-4-15)14(20)18-8-5-16(6-9-18)22-11-12-23-16/h2-12H2,1H3,(H,17,19)
InChIKeyCAGVDMPJWAMHFG-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.28
Rot. Bonds6

About 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide (PubChem CID 108972894) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
PubChem CID108972894
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOCCCNC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C16H26N2O5/c1-21-10-2-7-17-13(19)15(3-4-15)14(20)18-8-5-16(6-9-18)22-11-12-23-16/h2-12H2,1H3,(H,17,19)
InChIKeyCAGVDMPJWAMHFG-UHFFFAOYSA-N
XLogP0.28
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097
N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972905
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
1-N-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970400
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149469
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206070
ethyl 4-[1-(butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971033
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978683
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide (CID 108972894) is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide is COCCCNC(=O)C1(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is CAGVDMPJWAMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-21-10-2-7-17-13(19)15(3-4-15)14(20)18-8-5-16(6-9-18)22-11-12-23-16/h2-12H2,1H3,(H,17,19).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).