N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide

C17H14N2O4 — CID 168908077

IUPACN-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4/c1-18(15(20)13-9-5-6-10-14(13)23-2)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3
InChIKeyVYFRWRRFIJQFTQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.98
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide

N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide (PubChem CID 168908077) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide
PubChem CID168908077
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4/c1-18(15(20)13-9-5-6-10-14(13)23-2)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3
InChIKeyVYFRWRRFIJQFTQ-UHFFFAOYSA-N
XLogP1.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
CID 168908039
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
CID 70639006
2-[3-chloro-3-(2-methoxyphenyl)prop-2-enyl]isoindole-1,3-dione
CID 173405990
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
ethane;methyl 2-methoxybenzoate
CID 178037044
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951282
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide (CID 168908077) is N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is VYFRWRRFIJQFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-18(15(20)13-9-5-6-10-14(13)23-2)19-16(21)11-7-3-4-8-12(11)17(19)22/h3-10H,1-2H3.
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide?
N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 310.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 168908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).