N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C24H26N2O4 — CID 87589261

IUPACN-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4(CN)CC4)cc3)c(=O)oc12
InChIInChI=1S/C24H26N2O4/c1-3-4-18-20(29-2)10-5-15-13-19(23(28)30-21(15)18)22(27)26-17-8-6-16(7-9-17)24(14-25)11-12-24/h5-10,13H,3-4,11-12,14,25H2,1-2H3,(H,26,27)
InChIKeyWJAYERXPEKZWES-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.00
Rot. Bonds7

About N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 87589261) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID87589261
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4(CN)CC4)cc3)c(=O)oc12
InChIInChI=1S/C24H26N2O4/c1-3-4-18-20(29-2)10-5-15-13-19(23(28)30-21(15)18)22(27)26-17-8-6-16(7-9-17)24(14-25)11-12-24/h5-10,13H,3-4,11-12,14,25H2,1-2H3,(H,26,27)
InChIKeyWJAYERXPEKZWES-UHFFFAOYSA-N
XLogP4.00
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-(1-acetamidocyclopropyl)phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589718
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87684672
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52931728
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 87690725
N-[4-[(1S,2S)-2-amino-3-hydroxy-1-methoxypropyl]phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589202

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 87589261) is N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4(CN)CC4)cc3)c(=O)oc12.
What is the InChIKey of N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is WJAYERXPEKZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-4-18-20(29-2)10-5-15-13-19(23(28)30-21(15)18)22(27)26-17-8-6-16(7-9-17)24(14-25)11-12-24/h5-10,13H,3-4,11-12,14,25H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 87589261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).