4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 63782822

IUPAC4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(Cc2ccco2)C2CC2)CC1
InChIInChI=1S/C16H21NO4/c18-15(11-3-5-12(6-4-11)16(19)20)17(13-7-8-13)10-14-2-1-9-21-14/h1-2,9,11-13H,3-8,10H2,(H,19,20)
InChIKeyLFAQITSBNVLGSP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.66
Rot. Bonds5

About 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782822) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782822
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(Cc2ccco2)C2CC2)CC1
InChIInChI=1S/C16H21NO4/c18-15(11-3-5-12(6-4-11)16(19)20)17(13-7-8-13)10-14-2-1-9-21-14/h1-2,9,11-13H,3-8,10H2,(H,19,20)
InChIKeyLFAQITSBNVLGSP-UHFFFAOYSA-N
XLogP2.66
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
4-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673186
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
(2S)-N-cyclopropyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 93369487
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782822) is 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N(Cc2ccco2)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LFAQITSBNVLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(11-3-5-12(6-4-11)16(19)20)17(13-7-8-13)10-14-2-1-9-21-14/h1-2,9,11-13H,3-8,10H2,(H,19,20).
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).