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

C14H22N2O4 — CID 98871019

IUPAC(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H](C)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(17)8-12-9-19-7-5-16(12)14(18)15-11(2)13-4-3-6-20-13/h3-4,6,10-12,17H,5,7-9H2,1-2H3,(H,15,18)/t10-,11+,12+/m0/s1
InChIKeyWTQBDZABKIKCAW-QJPTWQEYSA-N
MW282.34 g/mol
LogP1.52
Rot. Bonds4

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

(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide (PubChem CID 98871019) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
PubChem CID98871019
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H](C)c1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(17)8-12-9-19-7-5-16(12)14(18)15-11(2)13-4-3-6-20-13/h3-4,6,10-12,17H,5,7-9H2,1-2H3,(H,15,18)/t10-,11+,12+/m0/s1
InChIKeyWTQBDZABKIKCAW-QJPTWQEYSA-N
XLogP1.52
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
N-tert-butyl-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109467720
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
(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
CID 129429318
N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86892938
(3S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 100907589
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949487
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide (CID 98871019) is (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide is C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H](C)c1ccco1.
What is the InChIKey of (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The InChIKey is WTQBDZABKIKCAW-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)8-12-9-19-7-5-16(12)14(18)15-11(2)13-4-3-6-20-13/h3-4,6,10-12,17H,5,7-9H2,1-2H3,(H,15,18)/t10-,11+,12+/m0/s1.
What are the key properties of (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide is sourced from PubChem (CID 98871019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).