N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

C20H24N2O3 — CID 158086202

IUPACN-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-7-8-18(19(10-17)25-2)20(23)22(15-5-6-15)16-4-3-13-11-21-12-14(13)9-16/h7-8,10,12,15-16H,3-6,9,11H2,1-2H3
InChIKeyFNNVTWRAUADAFM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 158086202) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID158086202
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-7-8-18(19(10-17)25-2)20(23)22(15-5-6-15)16-4-3-13-11-21-12-14(13)9-16/h7-8,10,12,15-16H,3-6,9,11H2,1-2H3
InChIKeyFNNVTWRAUADAFM-UHFFFAOYSA-N
XLogP3.24
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
CID 159568436
N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 158422530
N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
CID 160659542
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2,4-dimethoxybenzoate
CID 6947027
2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-dimethoxy-N-methylbenzamide
CID 134705360
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
N-cyclopropyl-2-hydroxy-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 112817478
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810000

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 158086202) is N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is COc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is FNNVTWRAUADAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-7-8-18(19(10-17)25-2)20(23)22(15-5-6-15)16-4-3-13-11-21-12-14(13)9-16/h7-8,10,12,15-16H,3-6,9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 158086202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).