N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

C16H24N2O4 — CID 110921907

IUPACN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC(O)c1ccco1
InChIInChI=1S/C16H24N2O4/c19-13(14-7-4-10-22-14)11-18-15(20)8-9-17-16(21)12-5-2-1-3-6-12/h4,7,10,12-13,19H,1-3,5-6,8-9,11H2,(H,17,21)(H,18,20)
InChIKeyRUBMBQWCIBAZGO-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.52
Rot. Bonds7

About N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 110921907) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID110921907
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC(O)c1ccco1
InChIInChI=1S/C16H24N2O4/c19-13(14-7-4-10-22-14)11-18-15(20)8-9-17-16(21)12-5-2-1-3-6-12/h4,7,10,12-13,19H,1-3,5-6,8-9,11H2,(H,17,21)(H,18,20)
InChIKeyRUBMBQWCIBAZGO-UHFFFAOYSA-N
XLogP1.52
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
cis-(1S,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793149
trans-(1R,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793148
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (CID 110921907) is N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NCC(O)c1ccco1.
What is the InChIKey of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is RUBMBQWCIBAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-13(14-7-4-10-22-14)11-18-15(20)8-9-17-16(21)12-5-2-1-3-6-12/h4,7,10,12-13,19H,1-3,5-6,8-9,11H2,(H,17,21)(H,18,20).
What are the key properties of N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 110921907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).