N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide

C11H20F2N2O3 — CID 114154209

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O3/c1-2-3-14-9-5-18-4-8(9)10(17)15-6-11(12,13)7-16/h8-9,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyVCGFYGJKCVEUAE-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.26
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 114154209) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID114154209
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O3/c1-2-3-14-9-5-18-4-8(9)10(17)15-6-11(12,13)7-16/h8-9,14,16H,2-7H2,1H3,(H,15,17)
InChIKeyVCGFYGJKCVEUAE-UHFFFAOYSA-N
XLogP-0.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
CID 66254845
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
CID 113470440
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(propylamino)oxolane-3-carboxamide
CID 106175544
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide (CID 114154209) is N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is VCGFYGJKCVEUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-2-3-14-9-5-18-4-8(9)10(17)15-6-11(12,13)7-16/h8-9,14,16H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 266.29 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 114154209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).