2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide

C15H28N2O3 — CID 108960054

IUPAC2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)15(2,3)14(19)17-11-12-8-7-10-20-12/h12H,4-11H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNOPLHOBAUKZBQV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds8

About 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide

2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide (PubChem CID 108960054) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
PubChem CID108960054
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)15(2,3)14(19)17-11-12-8-7-10-20-12/h12H,4-11H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNOPLHOBAUKZBQV-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-(oxolan-2-ylmethyl)thiourea
CID 19651400
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(pentylamino)methylidene]amino]acetamide
CID 111538255
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
2-carbamothioyl-2-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 114291851
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide (CID 108960054) is 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide?
The InChIKey is NOPLHOBAUKZBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-6-9-16-13(18)15(2,3)14(19)17-11-12-8-7-10-20-12/h12H,4-11H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide?
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide has a molecular weight of 284.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide is sourced from PubChem (CID 108960054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).