N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide

C13H26N2O3 — CID 113470440

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)(C)COC
InChIInChI=1S/C13H26N2O3/c1-5-6-14-11-8-18-7-10(11)12(16)15-13(2,3)9-17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyZSKDJFANIZSBGD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.54
Rot. Bonds7

About N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 113470440) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID113470440
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)(C)COC
InChIInChI=1S/C13H26N2O3/c1-5-6-14-11-8-18-7-10(11)12(16)15-13(2,3)9-17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyZSKDJFANIZSBGD-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide (CID 113470440) is N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC(C)(C)COC.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is ZSKDJFANIZSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-14-11-8-18-7-10(11)12(16)15-13(2,3)9-17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 113470440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).