N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide

C12H23N3O3 — CID 3156710

IUPACN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNLVZVQZDSFXTLS-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3156710) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3156710
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNLVZVQZDSFXTLS-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(morpholin-4-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3772791
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 2883327
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 16192856
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-(tridecylamino)acetamide
CID 145981259
n-(Tetrahydrofuran-2-ylmethyl)acetamide
CID 263164
N-(prop-2-en-1-yl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 2883605
Butanamide, N-tetrahydrofurfuryl-
CID 531792
Cambridge id 6818627
CID 2915101
2-[(Oxolan-2-ylmethyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
CID 3229576
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
1-Methyl-3-(((tetrahydrofuran-2-yl)methyl)amino)pyrrolidin-2-one
CID 64266222

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 3156710) is N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide is CN(C)CCCNC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is NLVZVQZDSFXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-15(2)7-4-6-13-11(16)12(17)14-9-10-5-3-8-18-10/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).