N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide

C23H25N3O5 — CID 175380372

IUPACN-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)Nc1cc(N(C)c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C23H25N3O5/c1-5-21(27)24-14(2)22(28)25-17-13-16(10-11-20(17)30-4)26(3)18-12-15-8-6-7-9-19(15)31-23(18)29/h6-14H,5H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyUCACEXBWINWBOU-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.42
Rot. Bonds7

About N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide

N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide (PubChem CID 175380372) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide
PubChem CID175380372
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(C)C(=O)Nc1cc(N(C)c2cc3ccccc3oc2=O)ccc1OC
InChIInChI=1S/C23H25N3O5/c1-5-21(27)24-14(2)22(28)25-17-13-16(10-11-20(17)30-4)26(3)18-12-15-8-6-7-9-19(15)31-23(18)29/h6-14H,5H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyUCACEXBWINWBOU-UHFFFAOYSA-N
XLogP3.42
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide?
The IUPAC name of N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide (CID 175380372) is N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide.
What is the SMILES notation for N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide?
The canonical SMILES for N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide is CCC(=O)NC(C)C(=O)Nc1cc(N(C)c2cc3ccccc3oc2=O)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide?
The InChIKey is UCACEXBWINWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-5-21(27)24-14(2)22(28)25-17-13-16(10-11-20(17)30-4)26(3)18-12-15-8-6-7-9-19(15)31-23(18)29/h6-14H,5H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide?
N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide has a molecular weight of 423.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[methyl-(2-oxochromen-3-yl)amino]phenyl]-2-(propanoylamino)propanamide is sourced from PubChem (CID 175380372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).