N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

C15H22N2O3 — CID 94216559

IUPACN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-11(14(18)16-10-13-8-5-9-20-13)17-15(19)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyPWXRJICLWBPOAF-LLVKDONJSA-N
MW278.35 g/mol
LogP1.98
Rot. Bonds5

About N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 94216559) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID94216559
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-11(14(18)16-10-13-8-5-9-20-13)17-15(19)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyPWXRJICLWBPOAF-LLVKDONJSA-N
XLogP1.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7064745
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 6270943
(2R)-N-(furan-2-ylmethyl)-2-[2-[(2S)-oxolan-2-yl]ethylcarbamoylamino]propanamide
CID 95145815
(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide
CID 95145817
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103966369

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 94216559) is N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1.
What is the InChIKey of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is PWXRJICLWBPOAF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(14(18)16-10-13-8-5-9-20-13)17-15(19)12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,16,18)(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 94216559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).