N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide

C26H24N2O3 — CID 7547957

IUPACN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1C
InChIInChI=1S/C26H24N2O3/c1-16-11-12-19(13-17(16)2)28-15-18(14-24(28)29)27-26(30)25-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)25/h3-13,18,25H,14-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeySTXDKRUBYDQWJL-GOSISDBHSA-N
MW412.49 g/mol
LogP4.46
Rot. Bonds3

About N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide (PubChem CID 7547957) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide
PubChem CID7547957
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1C
InChIInChI=1S/C26H24N2O3/c1-16-11-12-19(13-17(16)2)28-15-18(14-24(28)29)27-26(30)25-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)25/h3-13,18,25H,14-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeySTXDKRUBYDQWJL-GOSISDBHSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
1-benzhydryl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543330
(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide (CID 7547957) is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide is Cc1ccc(N2C[C@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1C.
What is the InChIKey of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The InChIKey is STXDKRUBYDQWJL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-16-11-12-19(13-17(16)2)28-15-18(14-24(28)29)27-26(30)25-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)25/h3-13,18,25H,14-15H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 7547957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).