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

C17H23N3O4 — CID 97244661

IUPAC(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCn1cccc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C17H23N3O4/c21-15(16-4-3-10-24-16)12-14-13-23-11-9-20(14)17(22)18-5-8-19-6-1-2-7-19/h1-4,6-7,10,14-15,21H,5,8-9,11-13H2,(H,18,22)/t14-,15-/m1/s1
InChIKeyOGFVCZRVFJDZNO-HUUCEWRRSA-N
MW333.39 g/mol
LogP1.62
Rot. Bonds6

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

(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide (PubChem CID 97244661) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
PubChem CID97244661
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCn1cccc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C17H23N3O4/c21-15(16-4-3-10-24-16)12-14-13-23-11-9-20(14)17(22)18-5-8-19-6-1-2-7-19/h1-4,6-7,10,14-15,21H,5,8-9,11-13H2,(H,18,22)/t14-,15-/m1/s1
InChIKeyOGFVCZRVFJDZNO-HUUCEWRRSA-N
XLogP1.62
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
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)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 124516293
methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 97065042
[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99708101

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide (CID 97244661) is (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide is O=C(NCCn1cccc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1.
What is the InChIKey of (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide?
The InChIKey is OGFVCZRVFJDZNO-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15(16-4-3-10-24-16)12-14-13-23-11-9-20(14)17(22)18-5-8-19-6-1-2-7-19/h1-4,6-7,10,14-15,21H,5,8-9,11-13H2,(H,18,22)/t14-,15-/m1/s1.
What are the key properties of (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide?
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97244661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).