(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide

C18H22N4O5 — CID 134699254

IUPAC(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cnc[nH]2)cc1OC
InChIInChI=1S/C18H22N4O5/c1-25-13-4-3-11(7-14(13)26-2)16-17(27-9-15(23)22-16)18(24)20-6-5-12-8-19-10-21-12/h3-4,7-8,10,16-17H,5-6,9H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)/t16-,17+/m1/s1
InChIKeyHCCHUZWQPZCWSX-SJORKVTESA-N
MW374.40 g/mol
LogP0.34
Rot. Bonds7

About (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide (PubChem CID 134699254) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide
PubChem CID134699254
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cnc[nH]2)cc1OC
InChIInChI=1S/C18H22N4O5/c1-25-13-4-3-11(7-14(13)26-2)16-17(27-9-15(23)22-16)18(24)20-6-5-12-8-19-10-21-12/h3-4,7-8,10,16-17H,5-6,9H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)/t16-,17+/m1/s1
InChIKeyHCCHUZWQPZCWSX-SJORKVTESA-N
XLogP0.34
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 157016978
(2S,3R)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134711907
(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide
CID 157015784
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157019253
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 157011786
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-ethyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 156584705
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylmorpholine-2-carboxamide
CID 134700108
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-oxomorpholine-2-carboxamide
CID 134713744
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97142689
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide (CID 134699254) is (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide is COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCc2cnc[nH]2)cc1OC.
What is the InChIKey of (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is HCCHUZWQPZCWSX-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N4O5/c1-25-13-4-3-11(7-14(13)26-2)16-17(27-9-15(23)22-16)18(24)20-6-5-12-8-19-10-21-12/h3-4,7-8,10,16-17H,5-6,9H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134699254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).