N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C22H25N3O4 — CID 171912351

IUPACN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N(Cc3cnn(C)c3)C3CC3)ccc12
InChIInChI=1S/C22H25N3O4/c1-4-16-9-21(26)29-20-10-18(7-8-19(16)20)28-14(2)22(27)25(17-5-6-17)13-15-11-23-24(3)12-15/h7-12,14,17H,4-6,13H2,1-3H3
InChIKeyTZHYFNMIZSPSCD-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.05
Rot. Bonds7

About N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 171912351) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID171912351
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N(Cc3cnn(C)c3)C3CC3)ccc12
InChIInChI=1S/C22H25N3O4/c1-4-16-9-21(26)29-20-10-18(7-8-19(16)20)28-14(2)22(27)25(17-5-6-17)13-15-11-23-24(3)12-15/h7-12,14,17H,4-6,13H2,1-3H3
InChIKeyTZHYFNMIZSPSCD-UHFFFAOYSA-N
XLogP3.05
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
CID 171916185
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N,N,3-trimethylbutanamide
CID 124883071
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171386772
7-[(2R)-1-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 7091144
4-ethyl-7-[1-oxo-1-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-2-yl]oxychromen-2-one
CID 171908811
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
acetic acid;7-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 172896663
4-ethyl-7-[1-oxo-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-2-yl]oxychromen-2-one
CID 171912201
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
N,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191715
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 171912351) is N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CCc1cc(=O)oc2cc(OC(C)C(=O)N(Cc3cnn(C)c3)C3CC3)ccc12.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is TZHYFNMIZSPSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-16-9-21(26)29-20-10-18(7-8-19(16)20)28-14(2)22(27)25(17-5-6-17)13-15-11-23-24(3)12-15/h7-12,14,17H,4-6,13H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 171912351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).