N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C25H28N2O5 — CID 87684672

IUPACN-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(CN4CC[C@@H](O)C4)cc3)c(=O)oc12
InChIInChI=1S/C25H28N2O5/c1-3-4-20-22(31-2)10-7-17-13-21(25(30)32-23(17)20)24(29)26-18-8-5-16(6-9-18)14-27-12-11-19(28)15-27/h5-10,13,19,28H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyJKCJPUCEJDCQEA-LJQANCHMSA-N
MW436.51 g/mol
LogP3.57
Rot. Bonds7

About N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 87684672) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID87684672
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(CN4CC[C@@H](O)C4)cc3)c(=O)oc12
InChIInChI=1S/C25H28N2O5/c1-3-4-20-22(31-2)10-7-17-13-21(25(30)32-23(17)20)24(29)26-18-8-5-16(6-9-18)14-27-12-11-19(28)15-27/h5-10,13,19,28H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyJKCJPUCEJDCQEA-LJQANCHMSA-N
XLogP3.57
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethoxy-N-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 87601465
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87589261
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide
CID 24994979
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52931728
N-[4-[[ethyl(methyl)amino]methyl]phenyl]-7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxamide
CID 87590649
N-[4-(1-acetamidocyclopropyl)phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589718
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 87690725

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 87684672) is N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(CN4CC[C@@H](O)C4)cc3)c(=O)oc12.
What is the InChIKey of N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is JKCJPUCEJDCQEA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-3-4-20-22(31-2)10-7-17-13-21(25(30)32-23(17)20)24(29)26-18-8-5-16(6-9-18)14-27-12-11-19(28)15-27/h5-10,13,19,28H,3-4,11-12,14-15H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 87684672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).