N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

C26H28N2O2 — CID 149276157

IUPACN-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESC[C@H](Oc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-18(19-5-3-2-4-6-19)30-25-13-8-20(9-14-25)26(29)28(23-11-12-23)24-10-7-21-16-27-17-22(21)15-24/h2-6,8-9,13-14,17-18,23-24H,7,10-12,15-16H2,1H3/t18-,24?/m0/s1
InChIKeyXSAXGJOCQHFJRJ-VEXWJQHLSA-N
MW400.52 g/mol
LogP5.36
Rot. Bonds6

About N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 149276157) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID149276157
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESC[C@H](Oc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-18(19-5-3-2-4-6-19)30-25-13-8-20(9-14-25)26(29)28(23-11-12-23)24-10-7-21-16-27-17-22(21)15-24/h2-6,8-9,13-14,17-18,23-24H,7,10-12,15-16H2,1H3/t18-,24?/m0/s1
InChIKeyXSAXGJOCQHFJRJ-VEXWJQHLSA-N
XLogP5.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide with MolForge

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Related Compounds

N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 147977427
N-cyclopropyl-4-(1,1-difluoro-2-methylpropyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 158177891
N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 158422530
N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 149221040
N-cyclopropyl-N-(4-oxocyclohexyl)-4-propan-2-yloxybenzamide
CID 90370061
3-chloro-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 153212613
N-cyclopropyl-1-(1-methoxypropan-2-yl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
CID 160770230
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
N-cyclopropyl-5-methoxy-1-methyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indole-4-carboxamide
CID 159568436
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382008
N-cyclopropyl-1-pentyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)indazole-4-carboxamide
CID 160659542

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 149276157) is N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is C[C@H](Oc1ccc(C(=O)N(C2CC2)C2CCC3=C(C=NC3)C2)cc1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is XSAXGJOCQHFJRJ-VEXWJQHLSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(19-5-3-2-4-6-19)30-25-13-8-20(9-14-25)26(29)28(23-11-12-23)24-10-7-21-16-27-17-22(21)15-24/h2-6,8-9,13-14,17-18,23-24H,7,10-12,15-16H2,1H3/t18-,24?/m0/s1.
What are the key properties of N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 400.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1S)-1-phenylethoxy]-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 149276157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).