(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C14H14N2O5 — CID 2108923

IUPAC(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC(N)=O)ccc12
InChIInChI=1S/C14H14N2O5/c1-7-5-12(17)21-11-6-9(3-4-10(7)11)20-8(2)13(18)16-14(15)19/h3-6,8H,1-2H3,(H3,15,16,18,19)/t8-/m0/s1
InChIKeyZPNWLTIUIBBZTJ-QMMMGPOBSA-N
MW290.28 g/mol
LogP1.06
Rot. Bonds3

About (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 2108923) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID2108923
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC(N)=O)ccc12
InChIInChI=1S/C14H14N2O5/c1-7-5-12(17)21-11-6-9(3-4-10(7)11)20-8(2)13(18)16-14(15)19/h3-6,8H,1-2H3,(H3,15,16,18,19)/t8-/m0/s1
InChIKeyZPNWLTIUIBBZTJ-QMMMGPOBSA-N
XLogP1.06
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(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
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 42941413
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
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
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 2108923) is (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC(N)=O)ccc12.
What is the InChIKey of (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is ZPNWLTIUIBBZTJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-7-5-12(17)21-11-6-9(3-4-10(7)11)20-8(2)13(18)16-14(15)19/h3-6,8H,1-2H3,(H3,15,16,18,19)/t8-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 290.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 2108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).