N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide

C15H27N3O2 — CID 66255543

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C15H27N3O2/c1-2-5-16-14-10-20-9-12(14)15(19)17-13-8-18-6-3-11(13)4-7-18/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyYOCUKVAFHLRASQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.21
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255543) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255543
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C15H27N3O2/c1-2-5-16-14-10-20-9-12(14)15(19)17-13-8-18-6-3-11(13)4-7-18/h11-14,16H,2-10H2,1H3,(H,17,19)
InChIKeyYOCUKVAFHLRASQ-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153
N-(2,6-dioxopiperidin-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66254855
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide (CID 66255543) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is YOCUKVAFHLRASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-5-16-14-10-20-9-12(14)15(19)17-13-8-18-6-3-11(13)4-7-18/h11-14,16H,2-10H2,1H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).