N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide

C15H26N2O4 — CID 127304188

IUPACN-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
SMILESCC(C)(CNC(=O)C1CCOC1)CNC(=O)C1CCOC1
InChIInChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-3-5-20-7-11)10-17-14(19)12-4-6-21-8-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXOIKJTRMQSEFBX-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.32
Rot. Bonds6

About N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide

N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide (PubChem CID 127304188) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
PubChem CID127304188
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
SMILESCC(C)(CNC(=O)C1CCOC1)CNC(=O)C1CCOC1
InChIInChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-3-5-20-7-11)10-17-14(19)12-4-6-21-8-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXOIKJTRMQSEFBX-UHFFFAOYSA-N
XLogP0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide (CID 127304188) is N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide is CC(C)(CNC(=O)C1CCOC1)CNC(=O)C1CCOC1.
What is the InChIKey of N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide?
The InChIKey is XOIKJTRMQSEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-3-5-20-7-11)10-17-14(19)12-4-6-21-8-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide?
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 127304188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).