N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide

C28H31N5O4 — CID 135190935

IUPACN,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
SMILESCC(C)C1=NCC(c2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)=N1
InChIInChI=1S/C28H31N5O4/c1-17(2)26-29-14-23(30-26)18-6-9-21(10-7-18)37-24-11-12-33(28(24)36)20-8-5-19-15-32(16-25(34)31(3)4)27(35)22(19)13-20/h5-10,13,17,24H,11-12,14-16H2,1-4H3/t24-/m1/s1
InChIKeyAVZSCKYAGMUKPM-XMMPIXPASA-N
MW501.59 g/mol
LogP2.77
Rot. Bonds7

About N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide

N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide (PubChem CID 135190935) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
PubChem CID135190935
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC NameN,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
SMILESCC(C)C1=NCC(c2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)=N1
InChIInChI=1S/C28H31N5O4/c1-17(2)26-29-14-23(30-26)18-6-9-21(10-7-18)37-24-11-12-33(28(24)36)20-8-5-19-15-32(16-25(34)31(3)4)27(35)22(19)13-20/h5-10,13,17,24H,11-12,14-16H2,1-4H3/t24-/m1/s1
InChIKeyAVZSCKYAGMUKPM-XMMPIXPASA-N
XLogP2.77
TPSA94.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[4-(1,2,4-triazol-1-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191081
N,N-dimethyl-2-[5-[(3R)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 118418459
N,N-dimethyl-2-[5-[(3R)-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 118418360
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
ethyl 3-[2-chloro-5-[(3R)-1-[2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1H-isoindol-5-yl]-2-oxopyrrolidin-3-yl]oxyphenyl]propanoate
CID 118418394
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
ethyl 2-[3-oxo-5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetate
CID 126483218
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
2-[3-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 118418329
4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
CID 144936926
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
2-[5-[3-[4-(3-methylbutoxy)phenoxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 135203504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide (CID 135190935) is N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide is CC(C)C1=NCC(c2ccc(O[C@@H]3CCN(c4ccc5c(c4)C(=O)N(CC(=O)N(C)C)C5)C3=O)cc2)=N1.
What is the InChIKey of N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
The InChIKey is AVZSCKYAGMUKPM-XMMPIXPASA-N. The full InChI is InChI=1S/C28H31N5O4/c1-17(2)26-29-14-23(30-26)18-6-9-21(10-7-18)37-24-11-12-33(28(24)36)20-8-5-19-15-32(16-25(34)31(3)4)27(35)22(19)13-20/h5-10,13,17,24H,11-12,14-16H2,1-4H3/t24-/m1/s1.
What are the key properties of N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide?
N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide has a molecular weight of 501.59 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-oxo-5-[(3R)-2-oxo-3-[4-(2-propan-2-yl-4H-imidazol-5-yl)phenoxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 135190935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).