6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide

C24H26N2O3 — CID 45155475

IUPAC6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC(c3ccccc3)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C24H26N2O3/c1-2-17-10-11-22-19(14-17)21(27)15-23(29-22)24(28)25-16-20(26-12-6-7-13-26)18-8-4-3-5-9-18/h3-5,8-11,14-15,20H,2,6-7,12-13,16H2,1H3,(H,25,28)
InChIKeyFCJDGCZDYBEGIP-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.92
Rot. Bonds6

About 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide

6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide (PubChem CID 45155475) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
PubChem CID45155475
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC(c3ccccc3)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C24H26N2O3/c1-2-17-10-11-22-19(14-17)21(27)15-23(29-22)24(28)25-16-20(26-12-6-7-13-26)18-8-4-3-5-9-18/h3-5,8-11,14-15,20H,2,6-7,12-13,16H2,1H3,(H,25,28)
InChIKeyFCJDGCZDYBEGIP-UHFFFAOYSA-N
XLogP3.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
CID 35574653
N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751397
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 45155279
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
6-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45154906

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide?
The IUPAC name of 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide (CID 45155475) is 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide?
The canonical SMILES for 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide is CCc1ccc2oc(C(=O)NCC(c3ccccc3)N3CCCC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide?
The InChIKey is FCJDGCZDYBEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-17-10-11-22-19(14-17)21(27)15-23(29-22)24(28)25-16-20(26-12-6-7-13-26)18-8-4-3-5-9-18/h3-5,8-11,14-15,20H,2,6-7,12-13,16H2,1H3,(H,25,28).
What are the key properties of 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide?
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide is sourced from PubChem (CID 45155475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).