N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide

C16H22N2O3 — CID 108943617

IUPACN'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O3/c1-18(12-13-6-3-2-4-7-13)16(20)10-15(19)17-11-14-8-5-9-21-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)
InChIKeyIQVPSKMVEVFHDH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds6

About N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide

N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943617) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943617
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O3/c1-18(12-13-6-3-2-4-7-13)16(20)10-15(19)17-11-14-8-5-9-21-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)
InChIKeyIQVPSKMVEVFHDH-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
N-benzyl-2-[[(cyclopropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N-methylacetamide;hydroiodide
CID 71876148
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42852868
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide (CID 108943617) is N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide is CN(Cc1ccccc1)C(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is IQVPSKMVEVFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(12-13-6-3-2-4-7-13)16(20)10-15(19)17-11-14-8-5-9-21-14/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19).
What are the key properties of N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide?
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 290.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).