N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H28N2O3 — CID 100665145

IUPACN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC1(CC)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1
InChIInChI=1S/C24H28N2O3/c1-3-24(4-2)16-20(19-8-5-6-9-21(19)29-24)25-23(28)17-11-13-18(14-12-17)26-15-7-10-22(26)27/h5-6,8-9,11-14,20H,3-4,7,10,15-16H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyLPTAITHWFCKMEQ-HXUWFJFHSA-N
MW392.50 g/mol
LogP4.63
Rot. Bonds5

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 100665145) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID100665145
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC1(CC)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1
InChIInChI=1S/C24H28N2O3/c1-3-24(4-2)16-20(19-8-5-6-9-21(19)29-24)25-23(28)17-11-13-18(14-12-17)26-15-7-10-22(26)27/h5-6,8-9,11-14,20H,3-4,7,10,15-16H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyLPTAITHWFCKMEQ-HXUWFJFHSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133235478
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(phenylsulfanylmethyl)benzamide
CID 100732298
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-phenylsulfanylethoxy)benzamide
CID 100622134
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 100761272
3-(azepan-1-ylsulfonyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133187817
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 100624225
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133210025
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 100665145) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCC1(CC)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LPTAITHWFCKMEQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-24(4-2)16-20(19-8-5-6-9-21(19)29-24)25-23(28)17-11-13-18(14-12-17)26-15-7-10-22(26)27/h5-6,8-9,11-14,20H,3-4,7,10,15-16H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 100665145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).