N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide

C11H21N3O3 — CID 3156704

IUPACN-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H21N3O3/c1-14(2)6-5-12-10(15)11(16)13-8-9-4-3-7-17-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyPCHRBTGLPZFCRI-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.04
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide

N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3156704) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3156704
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H21N3O3/c1-14(2)6-5-12-10(15)11(16)13-8-9-4-3-7-17-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyPCHRBTGLPZFCRI-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide
CID 175801749
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
1-[3-(dimethylamino)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27450952
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 108507620
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233
N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7034176
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 3156704) is N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is CN(C)CCNC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is PCHRBTGLPZFCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-14(2)6-5-12-10(15)11(16)13-8-9-4-3-7-17-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 243.31 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3156704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).