N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide

C15H22N2O3 — CID 71942113

IUPACN-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCCCC1)c1ccoc1
InChIInChI=1S/C15H22N2O3/c18-14(17-9-4-2-1-3-5-10-17)6-8-16-15(19)13-7-11-20-12-13/h7,11-12H,1-6,8-10H2,(H,16,19)
InChIKeyOXMGZSXLAGYZBR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds4

About N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide

N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide (PubChem CID 71942113) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide
PubChem CID71942113
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCCCC1)c1ccoc1
InChIInChI=1S/C15H22N2O3/c18-14(17-9-4-2-1-3-5-10-17)6-8-16-15(19)13-7-11-20-12-13/h7,11-12H,1-6,8-10H2,(H,16,19)
InChIKeyOXMGZSXLAGYZBR-UHFFFAOYSA-N
XLogP2.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone
CID 24945123
3-Furoyl-l-leucylglycinamide
CID 166630178
1-(Furan-3-carbonyl)piperidin-4-one
CID 24695810
1-(Furan-3-carbonyl)piperidin-4-amine
CID 16771508
3-[1-(Furan-3-YL)-N-(3-methoxypropyl)formamido]-N-(3-methylbutyl)propanamide
CID 3667145
3-[1-(Furan-3-YL)-N-(3-methylbutyl)formamido]-N-(3-methoxypropyl)propanamide
CID 4373963
N-(3-hydroxypropyl)furan-3-carboxamide
CID 16729503
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]furan-3-carboxamide
CID 25617383
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 45815963
N-(2-piperidin-1-ylethyl)furan-3-carboxamide
CID 45823667
N-(2-morpholin-4-ylpropyl)furan-3-carboxamide
CID 45878800
N-(2-oxo-2-piperidin-1-ylethyl)furan-3-carboxamide
CID 45883933

Frequently Asked Questions

What is the IUPAC name of N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide (CID 71942113) is N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide is O=C(NCCC(=O)N1CCCCCCC1)c1ccoc1.
What is the InChIKey of N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is OXMGZSXLAGYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(17-9-4-2-1-3-5-10-17)6-8-16-15(19)13-7-11-20-12-13/h7,11-12H,1-6,8-10H2,(H,16,19).
What are the key properties of N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide?
N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azocan-1-yl)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 71942113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).