N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide

C16H28N2O4 — CID 56804759

IUPACN-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCOC1)NC(=O)C1CCOC1
InChIInChI=1S/C16H28N2O4/c1-11(2)7-14(18-16(20)13-4-6-22-10-13)8-17-15(19)12-3-5-21-9-12/h11-14H,3-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHWFDGSUOTKMRMZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.71
Rot. Bonds7

About N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide

N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide (PubChem CID 56804759) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
PubChem CID56804759
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CCOC1)NC(=O)C1CCOC1
InChIInChI=1S/C16H28N2O4/c1-11(2)7-14(18-16(20)13-4-6-22-10-13)8-17-15(19)12-3-5-21-9-12/h11-14H,3-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHWFDGSUOTKMRMZ-UHFFFAOYSA-N
XLogP0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 107859858
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide (CID 56804759) is N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide is CC(C)CC(CNC(=O)C1CCOC1)NC(=O)C1CCOC1.
What is the InChIKey of N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide?
The InChIKey is HWFDGSUOTKMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(2)7-14(18-16(20)13-4-6-22-10-13)8-17-15(19)12-3-5-21-9-12/h11-14H,3-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide?
N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide is sourced from PubChem (CID 56804759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).