N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

C14H25N3O4 — CID 18583979

IUPACN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C14H25N3O4/c1-17(2)8-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKMQQRCIXQPTAPL-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.53
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide

N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (PubChem CID 18583979) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
PubChem CID18583979
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C14H25N3O4/c1-17(2)8-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKMQQRCIXQPTAPL-UHFFFAOYSA-N
XLogP-0.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7646543
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
CID 7647064
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N'-[4-(dimethylamino)phenyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647171
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222
N'-cycloheptyl-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583998
N'-cyclohexyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583844
N'-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 7645739
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423650
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7646088

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide (CID 18583979) is N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is CN(C)CCNC(=O)C(=O)NCC1COC2(CCCC2)O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
The InChIKey is KMQQRCIXQPTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-17(2)8-7-15-12(18)13(19)16-9-11-10-20-14(21-11)5-3-4-6-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide?
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide has a molecular weight of 299.37 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).