3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide

C30H32N4O3 — CID 162137605

IUPAC3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC3=NCc4ccc(C(=O)NC(C)c5ccccc5)cc43)cc2)CC(C)O1
InChIInChI=1S/C30H32N4O3/c1-19-17-34(18-20(2)37-19)26-13-11-23(12-14-26)29(35)33-28-27-15-24(9-10-25(27)16-31-28)30(36)32-21(3)22-7-5-4-6-8-22/h4-15,19-21H,16-18H2,1-3H3,(H,32,36)(H,31,33,35)
InChIKeyZJMOGZOFLMQXMT-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.48
Rot. Bonds5

About 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide

3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide (PubChem CID 162137605) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide
PubChem CID162137605
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC3=NCc4ccc(C(=O)NC(C)c5ccccc5)cc43)cc2)CC(C)O1
InChIInChI=1S/C30H32N4O3/c1-19-17-34(18-20(2)37-19)26-13-11-23(12-14-26)29(35)33-28-27-15-24(9-10-25(27)16-31-28)30(36)32-21(3)22-7-5-4-6-8-22/h4-15,19-21H,16-18H2,1-3H3,(H,32,36)(H,31,33,35)
InChIKeyZJMOGZOFLMQXMT-UHFFFAOYSA-N
XLogP4.48
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide with MolForge

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Related Compounds

N-(1-phenylethyl)-3-[(4-piperazin-1-ylbenzoyl)amino]-1H-isoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 162080694
3-[[4-[(3S)-3-methylpiperazin-1-yl]benzoyl]amino]-N-(1-phenylcyclopropyl)-1H-isoindole-5-carboxamide
CID 160693192
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782548
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
3-[[4-[(3S)-3-methylpiperazin-1-yl]benzoyl]amino]-N-(1-phenylethyl)-1H-indazole-5-carboxamide
CID 122584561
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide?
The IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide (CID 162137605) is 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide.
What is the SMILES notation for 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide?
The canonical SMILES for 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide is CC1CN(c2ccc(C(=O)NC3=NCc4ccc(C(=O)NC(C)c5ccccc5)cc43)cc2)CC(C)O1.
What is the InChIKey of 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide?
The InChIKey is ZJMOGZOFLMQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-19-17-34(18-20(2)37-19)26-13-11-23(12-14-26)29(35)33-28-27-15-24(9-10-25(27)16-31-28)30(36)32-21(3)22-7-5-4-6-8-22/h4-15,19-21H,16-18H2,1-3H3,(H,32,36)(H,31,33,35).
What are the key properties of 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide?
3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dimethylmorpholin-4-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-isoindole-5-carboxamide is sourced from PubChem (CID 162137605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).