N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide

C17H18N2O5 — CID 94813486

IUPACN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)N1CCOCC1
InChIInChI=1S/C17H18N2O5/c1-11(16(21)19-6-8-23-9-7-19)18-15(20)13-10-12-4-2-3-5-14(12)24-17(13)22/h2-5,10-11H,6-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyKXHOTPNYXUCQRQ-LLVKDONJSA-N
MW330.34 g/mol
LogP0.77
Rot. Bonds3

About N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide

N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide (PubChem CID 94813486) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
PubChem CID94813486
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)N1CCOCC1
InChIInChI=1S/C17H18N2O5/c1-11(16(21)19-6-8-23-9-7-19)18-15(20)13-10-12-4-2-3-5-14(12)24-17(13)22/h2-5,10-11H,6-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyKXHOTPNYXUCQRQ-LLVKDONJSA-N
XLogP0.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 94799939
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-oxochromene-3-carboxamide
CID 39966975
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
(2R)-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]pentanoic acid
CID 119363439
2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 95040746

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide (CID 94813486) is N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide?
The InChIKey is KXHOTPNYXUCQRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(16(21)19-6-8-23-9-7-19)18-15(20)13-10-12-4-2-3-5-14(12)24-17(13)22/h2-5,10-11H,6-9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide?
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 94813486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).