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

C22H24N2O3 — CID 99589244

IUPACN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1
InChIInChI=1S/C22H24N2O3/c1-22(2)14-18(17-6-3-4-7-19(17)27-22)23-21(26)15-9-11-16(12-10-15)24-13-5-8-20(24)25/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyFUYRWPSOCHETHW-GOSISDBHSA-N
MW364.45 g/mol
LogP3.85
Rot. Bonds3

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

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 99589244) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID99589244
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1(C)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1
InChIInChI=1S/C22H24N2O3/c1-22(2)14-18(17-6-3-4-7-19(17)27-22)23-21(26)15-9-11-16(12-10-15)24-13-5-8-20(24)25/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyFUYRWPSOCHETHW-GOSISDBHSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 100665145
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94023381
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
CID 46977380
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672537

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 99589244) is N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is CC1(C)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1.
What is the InChIKey of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FUYRWPSOCHETHW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(2)14-18(17-6-3-4-7-19(17)27-22)23-21(26)15-9-11-16(12-10-15)24-13-5-8-20(24)25/h3-4,6-7,9-12,18H,5,8,13-14H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 99589244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).