N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H22N2O7 — CID 6723209

IUPACN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CO)C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C19H22N2O7/c1-12-8-18(24)28-16-9-13(2-3-14(12)16)27-11-17(23)20-15(10-22)19(25)21-4-6-26-7-5-21/h2-3,8-9,15,22H,4-7,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyUITNWEAHRBDBOQ-HNNXBMFYSA-N
MW390.39 g/mol
LogP-0.18
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 6723209) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID6723209
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CO)C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C19H22N2O7/c1-12-8-18(24)28-16-9-13(2-3-14(12)16)27-11-17(23)20-15(10-22)19(25)21-4-6-26-7-5-21/h2-3,8-9,15,22H,4-7,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyUITNWEAHRBDBOQ-HNNXBMFYSA-N
XLogP-0.18
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[(2S)-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoyl]-1,4-diazepane-1-carboxylate
CID 6723225
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanamide
CID 4246306
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7967936
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1079166
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 6723209) is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CO)C(=O)N3CCOCC3)ccc12.
What is the InChIKey of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UITNWEAHRBDBOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-12-8-18(24)28-16-9-13(2-3-14(12)16)27-11-17(23)20-15(10-22)19(25)21-4-6-26-7-5-21/h2-3,8-9,15,22H,4-7,10-11H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 390.39 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 6723209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).