N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide

C21H25N3O4 — CID 171908297

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cn(CC)nc3C)ccc12
InChIInChI=1S/C21H25N3O4/c1-5-15-9-20(25)28-19-10-17(7-8-18(15)19)27-14(4)21(26)22-11-16-12-24(6-2)23-13(16)3/h7-10,12,14H,5-6,11H2,1-4H3,(H,22,26)
InChIKeyVDTSULVIOJTCCL-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.96
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 171908297) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID171908297
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cn(CC)nc3C)ccc12
InChIInChI=1S/C21H25N3O4/c1-5-15-9-20(25)28-19-10-17(7-8-18(15)19)27-14(4)21(26)22-11-16-12-24(6-2)23-13(16)3/h7-10,12,14H,5-6,11H2,1-4H3,(H,22,26)
InChIKeyVDTSULVIOJTCCL-UHFFFAOYSA-N
XLogP2.96
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
(2R)-2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7596376
(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 40512472
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511939
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
CID 171916185

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide (CID 171908297) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide is CCc1cc(=O)oc2cc(OC(C)C(=O)NCc3cn(CC)nc3C)ccc12.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is VDTSULVIOJTCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-15-9-20(25)28-19-10-17(7-8-18(15)19)27-14(4)21(26)22-11-16-12-24(6-2)23-13(16)3/h7-10,12,14H,5-6,11H2,1-4H3,(H,22,26).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 383.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 171908297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).