N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide

C16H24N2O3 — CID 94170401

IUPACN-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(17-16(20)13-9-10-21-11-13)15(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQCPADXJNDOSOOJ-GFCCVEGCSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94170401) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94170401
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(17-16(20)13-9-10-21-11-13)15(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQCPADXJNDOSOOJ-GFCCVEGCSA-N
XLogP2.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000559
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
CID 51965104
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120557066
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide (CID 94170401) is N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide is C[C@@H](NC(=O)c1ccoc1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is QCPADXJNDOSOOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(17-16(20)13-9-10-21-11-13)15(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94170401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).