(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide

C18H23NO4 — CID 124883071

IUPAC(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
SMILESCCc1cc(=O)oc2cc(O[C@@H](C(=O)N(C)C)C(C)C)ccc12
InChIInChI=1S/C18H23NO4/c1-6-12-9-16(20)23-15-10-13(7-8-14(12)15)22-17(11(2)3)18(21)19(4)5/h7-11,17H,6H2,1-5H3/t17-/m1/s1
InChIKeyRAVUAUIOEMDKEJ-QGZVFWFLSA-N
MW317.39 g/mol
LogP2.85
Rot. Bonds5

About (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide

(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide (PubChem CID 124883071) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
PubChem CID124883071
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
SMILESCCc1cc(=O)oc2cc(O[C@@H](C(=O)N(C)C)C(C)C)ccc12
InChIInChI=1S/C18H23NO4/c1-6-12-9-16(20)23-15-10-13(7-8-14(12)15)22-17(11(2)3)18(21)19(4)5/h7-11,17H,6H2,1-5H3/t17-/m1/s1
InChIKeyRAVUAUIOEMDKEJ-QGZVFWFLSA-N
XLogP2.85
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.85
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

(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
7-[1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 171910311
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide?
The IUPAC name of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide (CID 124883071) is (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide is CCc1cc(=O)oc2cc(O[C@@H](C(=O)N(C)C)C(C)C)ccc12.
What is the InChIKey of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide?
The InChIKey is RAVUAUIOEMDKEJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NO4/c1-6-12-9-16(20)23-15-10-13(7-8-14(12)15)22-17(11(2)3)18(21)19(4)5/h7-11,17H,6H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide?
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide has a molecular weight of 317.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide is sourced from PubChem (CID 124883071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).