4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide

C27H30N4O5 — CID 144936926

IUPAC4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESCN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.Oc1ccc(OC2=NCCC=C2)cc1
InChIInChI=1S/C16H19N3O3.C11H11NO2/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;13-9-4-6-10(7-5-9)14-11-3-1-2-8-12-11/h5-6,8H,3-4,7,9-10H2,1-2H3;1,3-7,13H,2,8H2
InChIKeyWUTFPYUKDULHDA-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.99
Rot. Bonds4

About 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide

4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide (PubChem CID 144936926) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
PubChem CID144936926
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESCN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.Oc1ccc(OC2=NCCC=C2)cc1
InChIInChI=1S/C16H19N3O3.C11H11NO2/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;13-9-4-6-10(7-5-9)14-11-3-1-2-8-12-11/h5-6,8H,3-4,7,9-10H2,1-2H3;1,3-7,13H,2,8H2
InChIKeyWUTFPYUKDULHDA-UHFFFAOYSA-N
XLogP2.99
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
CID 126497716
N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole
CID 144936932
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-[(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
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
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
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
tert-butyl 6-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143307369
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9299632
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
6-(2-cyclopropylethoxy)pyridin-3-ol;1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 144603432

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The IUPAC name of 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) is 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The canonical SMILES for 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is CN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.Oc1ccc(OC2=NCCC=C2)cc1.
What is the InChIKey of 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The InChIKey is WUTFPYUKDULHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.C11H11NO2/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;13-9-4-6-10(7-5-9)14-11-3-1-2-8-12-11/h5-6,8H,3-4,7,9-10H2,1-2H3;1,3-7,13H,2,8H2.
What are the key properties of 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 144936926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).