N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide

C23H24N2O4 — CID 87690725

IUPACN-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-5-6-17-19(28-4)12-7-14-13-18(22(27)29-20(14)17)21(26)25-16-10-8-15(9-11-16)23(2,3)24/h5,7-13H,1,6,24H2,2-4H3,(H,25,26)
InChIKeyYNXZCIQPPKEXHF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 87690725) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID87690725
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-5-6-17-19(28-4)12-7-14-13-18(22(27)29-20(14)17)21(26)25-16-10-8-15(9-11-16)23(2,3)24/h5,7-13H,1,6,24H2,2-4H3,(H,25,26)
InChIKeyYNXZCIQPPKEXHF-UHFFFAOYSA-N
XLogP3.98
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_B(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-8-(2-methylpropoxy)-2-oxochromene-3-carboxamide
CID 87589481
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-[(1S,2S)-2-amino-3-hydroxy-1-methoxypropyl]phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589202
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
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-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
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-(2-amino-1-hydroxyethyl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
CID 87589006
8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide
CID 24994979
3-(2-chlorophenyl)-7-methoxy-8-prop-2-enylchromen-2-one
CID 71494553

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 87690725) is N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1c(OC)ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc12.
What is the InChIKey of N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is YNXZCIQPPKEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-5-6-17-19(28-4)12-7-14-13-18(22(27)29-20(14)17)21(26)25-16-10-8-15(9-11-16)23(2,3)24/h5,7-13H,1,6,24H2,2-4H3,(H,25,26).
What are the key properties of N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 87690725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).