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

C14H25N3O4 — CID 7646543

IUPACN-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NC[C@H]1COC2(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)/t11-/m0/s1
InChIKeyKMQQRCIXQPTAPL-NSHDSACASA-N
MW299.37 g/mol
LogP-0.53
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide (PubChem CID 7646543) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
PubChem CID7646543
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NC[C@H]1COC2(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)/t11-/m0/s1
InChIKeyKMQQRCIXQPTAPL-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide (CID 7646543) is N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide is CN(C)CCNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide?
The InChIKey is KMQQRCIXQPTAPL-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]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'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide is sourced from PubChem (CID 7646543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).