2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide

C18H20N4O4 — CID 171388957

IUPAC2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide
SMILESCCn1ncc(NC(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1
InChIInChI=1S/C18H20N4O4/c1-5-22-19-9-16(21-22)20-17(23)12(4)25-13-6-7-14-10(2)11(3)18(24)26-15(14)8-13/h6-9,12H,5H2,1-4H3,(H,20,21,23)
InChIKeyBOYOICMPSSMZAY-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.43
Rot. Bonds5

About 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide (PubChem CID 171388957) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide
PubChem CID171388957
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide
SMILESCCn1ncc(NC(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1
InChIInChI=1S/C18H20N4O4/c1-5-22-19-9-16(21-22)20-17(23)12(4)25-13-6-7-14-10(2)11(3)18(24)26-15(14)8-13/h6-9,12H,5H2,1-4H3,(H,20,21,23)
InChIKeyBOYOICMPSSMZAY-UHFFFAOYSA-N
XLogP2.43
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyltriazol-4-yl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 171386502
(2S,3R)-2-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylpentanoic acid
CID 6353597
N-[3-(dimethylamino)propyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanamide
CID 4908121
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 171910820
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 3645981
(2R)-2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 701615
7-[1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]oxy-3,4-dimethylchromen-2-one
CID 171912849
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 171389849
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 3842138
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 95212791
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 906268

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide?
The IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide (CID 171388957) is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide.
What is the SMILES notation for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide?
The canonical SMILES for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide is CCn1ncc(NC(=O)C(C)Oc2ccc3c(C)c(C)c(=O)oc3c2)n1.
What is the InChIKey of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide?
The InChIKey is BOYOICMPSSMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-5-22-19-9-16(21-22)20-17(23)12(4)25-13-6-7-14-10(2)11(3)18(24)26-15(14)8-13/h6-9,12H,5H2,1-4H3,(H,20,21,23).
What are the key properties of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide?
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide has a molecular weight of 356.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-ethyltriazol-4-yl)propanamide is sourced from PubChem (CID 171388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).