(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C17H21NO4 — CID 734864

IUPAC(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc12
InChIInChI=1S/C17H21NO4/c1-10-8-15(19)22-14-9-12(6-7-13(10)14)21-11(2)16(20)18-17(3,4)5/h6-9,11H,1-5H3,(H,18,20)/t11-/m1/s1
InChIKeyUUYLJJORZOMFOT-LLVKDONJSA-N
MW303.36 g/mol
LogP2.78
Rot. Bonds3

About (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 734864) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID734864
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc12
InChIInChI=1S/C17H21NO4/c1-10-8-15(19)22-14-9-12(6-7-13(10)14)21-11(2)16(20)18-17(3,4)5/h6-9,11H,1-5H3,(H,18,20)/t11-/m1/s1
InChIKeyUUYLJJORZOMFOT-LLVKDONJSA-N
XLogP2.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967924
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 734864) is (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc12.
What is the InChIKey of (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is UUYLJJORZOMFOT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10-8-15(19)22-14-9-12(6-7-13(10)14)21-11(2)16(20)18-17(3,4)5/h6-9,11H,1-5H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 303.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 734864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).