(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

C14H19NO3 — CID 97106297

IUPAC(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccoc1)[C@H]1CC=CCC1
InChIInChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)/t11-,13-/m0/s1
InChIKeyZAQSDYXSFSRWBD-AAEUAGOBSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

About (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 97106297) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID97106297
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccoc1)[C@H]1CC=CCC1
InChIInChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)/t11-,13-/m0/s1
InChIKeyZAQSDYXSFSRWBD-AAEUAGOBSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
2-cyclopentyl-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]acetamide
CID 97106206
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121132759
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 97106388
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (CID 97106297) is (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is O=C(NCC[C@H](O)c1ccoc1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZAQSDYXSFSRWBD-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)/t11-,13-/m0/s1.
What are the key properties of (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 97106297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).