4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

C15H27N3O5 — CID 172884525

IUPAC4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESCOCC(=O)N1CCOC2(C1)CN(C(=O)NC(C)C)CCCO2
InChIInChI=1S/C15H27N3O5/c1-12(2)16-14(20)18-5-4-7-22-15(11-18)10-17(6-8-23-15)13(19)9-21-3/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyKDPKVHWRJJHBKF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.03
Rot. Bonds3

About 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide

4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (PubChem CID 172884525) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
PubChem CID172884525
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
SMILESCOCC(=O)N1CCOC2(C1)CN(C(=O)NC(C)C)CCCO2
InChIInChI=1S/C15H27N3O5/c1-12(2)16-14(20)18-5-4-7-22-15(11-18)10-17(6-8-23-15)13(19)9-21-3/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeyKDPKVHWRJJHBKF-UHFFFAOYSA-N
XLogP0.03
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide with MolForge

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Related Compounds

1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone
CID 172884531
1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone
CID 172884520
N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318256
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
N-propan-2-ylazetidine-1-carboxamide
CID 126972093

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The IUPAC name of 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide (CID 172884525) is 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide.
What is the SMILES notation for 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The canonical SMILES for 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is COCC(=O)N1CCOC2(C1)CN(C(=O)NC(C)C)CCCO2.
What is the InChIKey of 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
The InChIKey is KDPKVHWRJJHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-12(2)16-14(20)18-5-4-7-22-15(11-18)10-17(6-8-23-15)13(19)9-21-3/h12H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide?
4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide is sourced from PubChem (CID 172884525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).