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

C15H21N3O3 — CID 86995334

IUPACN'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)c1ccccc1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-4-3-7-12(13)17-15(20)14(19)16-10-11-6-5-9-21-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBYRGUKHZHDMAFH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds4

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

N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 86995334) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID86995334
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCN(C)c1ccccc1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-4-3-7-12(13)17-15(20)14(19)16-10-11-6-5-9-21-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBYRGUKHZHDMAFH-UHFFFAOYSA-N
XLogP0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
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'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507539
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N-[(E)-1-[4-(dimethylamino)phenyl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 6248371
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide (CID 86995334) is N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide is CN(C)c1ccccc1NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is BYRGUKHZHDMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)13-8-4-3-7-12(13)17-15(20)14(19)16-10-11-6-5-9-21-11/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 291.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 86995334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).