N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C24H26N2O3 — CID 41009907

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C24H26N2O3/c1-3-26-14-8-11-18(26)15-25-24(28)20-13-7-12-19-21(27)16(2)22(29-23(19)20)17-9-5-4-6-10-17/h4-7,9-10,12-13,18H,3,8,11,14-15H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyIZVNIWZADSCVHW-GOSISDBHSA-N
MW390.48 g/mol
LogP3.98
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 41009907) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID41009907
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C24H26N2O3/c1-3-26-14-8-11-18(26)15-25-24(28)20-13-7-12-19-21(27)16(2)22(29-23(19)20)17-9-5-4-6-10-17/h4-7,9-10,12-13,18H,3,8,11,14-15H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyIZVNIWZADSCVHW-GOSISDBHSA-N
XLogP3.98
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 10435002
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 41009907) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is IZVNIWZADSCVHW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-26-14-8-11-18(26)15-25-24(28)20-13-7-12-19-21(27)16(2)22(29-23(19)20)17-9-5-4-6-10-17/h4-7,9-10,12-13,18H,3,8,11,14-15H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 41009907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).