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

C21H36N2O4 — CID 109149331

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C21H36N2O4/c1-3-11-22(12-4-2)19(24)17-5-7-18(8-6-17)20(25)23-13-9-21(10-14-23)26-15-16-27-21/h17-18H,3-16H2,1-2H3
InChIKeyNHNGMJUYJJCQDS-UHFFFAOYSA-N
MW380.53 g/mol
LogP2.81
Rot. Bonds6

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

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide (PubChem CID 109149331) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
PubChem CID109149331
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C21H36N2O4/c1-3-11-22(12-4-2)19(24)17-5-7-18(8-6-17)20(25)23-13-9-21(10-14-23)26-15-16-27-21/h17-18H,3-16H2,1-2H3
InChIKeyNHNGMJUYJJCQDS-UHFFFAOYSA-N
XLogP2.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 3244966
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 3242174
Cyclohexyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 24285042
(4,4-Difluorocyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 81931312
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one
CID 10801787
[4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 32306042
2-Cyclopentyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 39992462
3-Cyclohexyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 40142618
N-[(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40422469
N-[(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40422470
2-Cyclohexyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 45809460
(4-Butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52572456

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide (CID 109149331) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide is CCCN(CCC)C(=O)C1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide?
The InChIKey is NHNGMJUYJJCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-3-11-22(12-4-2)19(24)17-5-7-18(8-6-17)20(25)23-13-9-21(10-14-23)26-15-16-27-21/h17-18H,3-16H2,1-2H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide is sourced from PubChem (CID 109149331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).