(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide

C20H19NO4 — CID 7564420

IUPAC(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H19NO4/c1-14(20(23)21(2)13-15-6-4-3-5-7-15)24-17-10-8-16-9-11-19(22)25-18(16)12-17/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyCMRBZMRWLCYEPV-CQSZACIVSA-N
MW337.38 g/mol
LogP3.22
Rot. Bonds5

About (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide

(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 7564420) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID7564420
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
SMILESC[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H19NO4/c1-14(20(23)21(2)13-15-6-4-3-5-7-15)24-17-10-8-16-9-11-19(22)25-18(16)12-17/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyCMRBZMRWLCYEPV-CQSZACIVSA-N
XLogP3.22
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-benzyl-2-(6-bromonaphthalen-2-yl)oxy-N-methylpropanamide
CID 7786732
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 171388910
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 171911612
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
CID 122180470
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858747
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193796
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide (CID 7564420) is (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide is C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is CMRBZMRWLCYEPV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(20(23)21(2)13-15-6-4-3-5-7-15)24-17-10-8-16-9-11-19(22)25-18(16)12-17/h3-12,14H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide?
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 7564420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).