(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide

C18H26N2O4 — CID 97244674

IUPAC(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
SMILESO=C(NCCC1=CCCC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C18H26N2O4/c21-16(17-6-3-10-24-17)12-15-13-23-11-9-20(15)18(22)19-8-7-14-4-1-2-5-14/h3-4,6,10,15-16,21H,1-2,5,7-9,11-13H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyONOQDTPQOKNPMB-HZPDHXFCSA-N
MW334.42 g/mol
LogP2.61
Rot. Bonds6

About (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide

(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide (PubChem CID 97244674) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
PubChem CID97244674
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
SMILESO=C(NCCC1=CCCC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C18H26N2O4/c21-16(17-6-3-10-24-17)12-15-13-23-11-9-20(15)18(22)19-8-7-14-4-1-2-5-14/h3-4,6,10,15-16,21H,1-2,5,7-9,11-13H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyONOQDTPQOKNPMB-HZPDHXFCSA-N
XLogP2.61
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
CID 97244661
N-tert-butyl-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109467720
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 103994441
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 124516293

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide (CID 97244674) is (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide is O=C(NCCC1=CCCC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1.
What is the InChIKey of (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide?
The InChIKey is ONOQDTPQOKNPMB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-16(17-6-3-10-24-17)12-15-13-23-11-9-20(15)18(22)19-8-7-14-4-1-2-5-14/h3-4,6,10,15-16,21H,1-2,5,7-9,11-13H2,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide?
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide is sourced from PubChem (CID 97244674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).