N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide

C14H26N2O3 — CID 66256717

IUPACN-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC1CCCOC1
InChIInChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(17)16-7-11-4-3-6-18-8-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyYLNALCJBAXPLHM-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.54
Rot. Bonds6

About N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide

N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256717) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256717
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC1CCCOC1
InChIInChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(17)16-7-11-4-3-6-18-8-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyYLNALCJBAXPLHM-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
CID 66267404
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4-(propylamino)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 80584794
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide (CID 66256717) is N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is YLNALCJBAXPLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-5-15-13-10-19-9-12(13)14(17)16-7-11-4-3-6-18-8-11/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide?
N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).