(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide

C21H26N2O4 — CID 99630364

IUPAC(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)N1CCOC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C21H26N2O4/c24-19(20-9-4-11-27-20)13-16-14-26-12-10-23(16)21(25)22-18-8-3-6-15-5-1-2-7-17(15)18/h3-4,6,8-9,11,16,19,24H,1-2,5,7,10,12-14H2,(H,22,25)/t16-,19+/m1/s1
InChIKeyORHMZDAWWPDSSE-APWZRJJASA-N
MW370.45 g/mol
LogP3.51
Rot. Bonds4

About (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide

(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide (PubChem CID 99630364) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
PubChem CID99630364
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)N1CCOC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C21H26N2O4/c24-19(20-9-4-11-27-20)13-16-14-26-12-10-23(16)21(25)22-18-8-3-6-15-5-1-2-7-17(15)18/h3-4,6,8-9,11,16,19,24H,1-2,5,7,10,12-14H2,(H,22,25)/t16-,19+/m1/s1
InChIKeyORHMZDAWWPDSSE-APWZRJJASA-N
XLogP3.51
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Furan-2-yl)-4-hydroxybutan-2-yl]-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 75379948
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CID 87305008
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819936
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
Methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 78879195
N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78880230
N-[4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 86988142
1-[4-(Dimethylamino)-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988784
3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86994881
N-(3-fluorophenyl)-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzamide
CID 87010608
1-(3-(Furan-2-yl)-3-hydroxypropyl)-3-(2-(trifluoromethyl)phenyl)urea
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1-(3-(Furan-2-yl)-3-hydroxypropyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 90523985

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide (CID 99630364) is (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide is O=C(Nc1cccc2c1CCCC2)N1CCOC[C@H]1C[C@H](O)c1ccco1.
What is the InChIKey of (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The InChIKey is ORHMZDAWWPDSSE-APWZRJJASA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19(20-9-4-11-27-20)13-16-14-26-12-10-23(16)21(25)22-18-8-3-6-15-5-1-2-7-17(15)18/h3-4,6,8-9,11,16,19,24H,1-2,5,7,10,12-14H2,(H,22,25)/t16-,19+/m1/s1.
What are the key properties of (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99630364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).